2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide

C17H16N2O — CID 62878754

IUPAC2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
SMILESCc1ccc(CNC(=O)C(C#N)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O/c1-13-7-9-14(10-8-13)12-19-17(20)16(11-18)15-5-3-2-4-6-15/h2-10,16H,12H2,1H3,(H,19,20)
InChIKeyGBQAOHIEVRMLBQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.92
Rot. Bonds4

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

2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide (PubChem CID 62878754) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
PubChem CID62878754
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
SMILESCc1ccc(CNC(=O)C(C#N)c2ccccc2)cc1
InChIInChI=1S/C17H16N2O/c1-13-7-9-14(10-8-13)12-19-17(20)16(11-18)15-5-3-2-4-6-15/h2-10,16H,12H2,1H3,(H,19,20)
InChIKeyGBQAOHIEVRMLBQ-UHFFFAOYSA-N
XLogP2.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
(2R)-2-methoxy-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 6543594
N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
CID 62878231
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
2-(benzhydrylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 46631037
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 951669
2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
CID 64912505
2-cyano-N-methyl-2-(4-methylphenyl)acetamide
CID 130010975
2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide
CID 106391157
N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71911030
N-benzyl-2-cyano-3-oxobutanamide
CID 47275479

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide (CID 62878754) is 2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide is Cc1ccc(CNC(=O)C(C#N)c2ccccc2)cc1.
What is the InChIKey of 2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide?
The InChIKey is GBQAOHIEVRMLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-7-9-14(10-8-13)12-19-17(20)16(11-18)15-5-3-2-4-6-15/h2-10,16H,12H2,1H3,(H,19,20).
What are the key properties of 2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide?
2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide has a molecular weight of 264.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 62878754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).