N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide

C17H16N2O — CID 104916745

IUPACN-[4-(cyanomethyl)phenyl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1ccc(CC#N)cc1)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-13(15-5-3-2-4-6-15)17(20)19-16-9-7-14(8-10-16)11-12-18/h2-10,13H,11H2,1H3,(H,19,20)
InChIKeyUCKPZAZDFHSXSL-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.49
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide

N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide (PubChem CID 104916745) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-phenylpropanamide
PubChem CID104916745
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1ccc(CC#N)cc1)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-13(15-5-3-2-4-6-15)17(20)19-16-9-7-14(8-10-16)11-12-18/h2-10,13H,11H2,1H3,(H,19,20)
InChIKeyUCKPZAZDFHSXSL-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[4-(cyanomethyl)anilino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 9031907
N-[4-(cyanomethyl)phenyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133184237
2-acetamido-N-[4-(cyanomethyl)phenyl]propanamide
CID 134052820
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
(2S)-N-[4-(cyanomethyl)phenyl]-2-methylpentanamide
CID 94187740
3-amino-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
CID 43709065
2-[4-(cyanomethyl)phenyl]propanoic acid
CID 66893390
(2S)-N-[4-(cyanomethyl)phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9260813
2-(benzylcarbamoylamino)-N-[4-(cyanomethyl)phenyl]-3-methylbutanamide
CID 55544264
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
(3R)-3-acetamido-N-[4-(cyanomethyl)phenyl]-3-phenylpropanamide
CID 9259796
N-[4-(cyanomethyl)phenyl]-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide
CID 92757626

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide (CID 104916745) is N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide is CC(C(=O)Nc1ccc(CC#N)cc1)c1ccccc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide?
The InChIKey is UCKPZAZDFHSXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13(15-5-3-2-4-6-15)17(20)19-16-9-7-14(8-10-16)11-12-18/h2-10,13H,11H2,1H3,(H,19,20).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide?
N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide has a molecular weight of 264.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-phenylpropanamide is sourced from PubChem (CID 104916745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).