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摘 要:ZINC02970406,,, :Molecular Weight311.37494 [g/mol]Molecular FormulaC19H21NO3XLogP4.1H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count7Tautomer Count4Exact Mass311.152144MonoIsotopic Mass311.152144Topological Polar Surface Area55.4Heavy Atom Count23
[Synonyms]
ZINC02970406


Properties Computed from Structure:Molecular Weight311.37494 [g/mol]Molecular FormulaC19H21NO3XLogP4.1H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count7Tautomer Count4Exact Mass311.152144MonoIsotopic Mass311.152144Topological Polar Surface Area55.4Heavy Atom Count23Formal Charge0Complexity396Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: N-(3-acetylphenyl)-3-butoxybenzamide
Canonical SMILES: CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)C
InChI: InChI=1/C19H21NO3/c1-3-4-11-23-18-10-6-8-16(13-18)19(22)20-17-9-5-7-15
(12-17)14(2)21/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,22)/f/h20H


Compound Info:CID: 2275106  Create Date: 2005-07-15

Similar Compounds: 2743 Links


Substance Info:Substances: 5 Links

Category: [for same structure substances]Biological Properties: 1 Link
   DiscoveryGate ( 1 )
SID: 8988913 - External ID: 2275106

Substance Vendors: 3 Links
   ChemBridge ( 1 )
SID: 3453157 - External ID: 6286464
   ChemSpider ( 1 )
SID: 29776718 - External ID: 1700535
   ZINC ( 1 )
SID: 2686167 - External ID: ZINC02970406

Theoretical Properties: 2 Links
   ChemDB ( 1 )
SID: 4659551 - External ID: 4198542
   ZINC ( 1 )
SID: 2686167 - External ID: ZINC02970406

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2275106Molecular Weight311.37494 [g/mol]Molecular FormulaC19H21NO3XLogP4.1H-Bond Donor1H-Bond Acceptor3  Links
Chemical Structure Search

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[Structure]
ZINC02970406,,,   :Molecular Weight311.37494 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight311.37494 [g/mol]
Molecular FormulaC19H21NO3
XLogP4.1
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count7
Tautomer Count4
Exact Mass311.152144
MonoIsotopic Mass311.152144
Topological Polar Surface Area55.4
Heavy Atom Count23
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(3-acetylphenyl)-3-butoxybenzamide
Canonical SMILES: CCCCOC1=CC=CC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)C
InChI: InChI=1/C19H21NO3/c1-3-4-11-23-18-10-6-8-16(13-18)19(22)20-17-9-5-7-15
(12-17)14(2)21/h5-10,12-13H,3-4,11H2,1-2H3,(H,20,22)/f/h20H

 
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