N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide

C18H18N2O — CID 62707555

IUPACN-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide
SMILESCc1ccc(C(C)(C#N)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c1-14-8-10-16(11-9-14)18(2,13-19)20-17(21)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyUXDNTQBZOQJSNN-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.09
Rot. Bonds4

About N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide

N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide (PubChem CID 62707555) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide
PubChem CID62707555
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC NameN-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide
SMILESCc1ccc(C(C)(C#N)NC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H18N2O/c1-14-8-10-16(11-9-14)18(2,13-19)20-17(21)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyUXDNTQBZOQJSNN-UHFFFAOYSA-N
XLogP3.09
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diphenylphosphorylamino)-2-(4-methylphenyl)propanenitrile
CID 135071298
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-phenylacetamide
CID 113354468
N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
CID 114307896
N'-methyl-N'-(4-methylphenyl)-2-phenylacetohydrazide
CID 13486901
1-cyano-N-(1-cyano-1-phenylethyl)cyclopropane-1-carboxamide
CID 141319600
2,2-dimethyl-4-oxo-5-phenylpentanenitrile
CID 13440734
N-(2-cyanopropan-2-yl)-3-phenylpropanamide
CID 55029032
N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide
CID 3649343
(4-methoxyphenyl)methyl N-(1-cyano-1-phenylethyl)carbamate
CID 57179451
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
ethyl 2-cyano-2-(4-methylphenyl)-4-phenylbutanoate
CID 138963989
N-[(2R)-3,3-dimethylbutan-2-yl]-2-phenylacetamide
CID 42561776

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide (CID 62707555) is N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide is Cc1ccc(C(C)(C#N)NC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide?
The InChIKey is UXDNTQBZOQJSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-8-10-16(11-9-14)18(2,13-19)20-17(21)12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,21).
What are the key properties of N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide?
N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide has a molecular weight of 278.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 62707555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).