N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide

C17H17N3O — CID 114479664

IUPACN-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2ccc(C#N)cc2C)c1
InChIInChI=1S/C17H17N3O/c1-12-8-14(10-18)6-7-15(12)11-19-16-4-3-5-17(9-16)20-13(2)21/h3-9,19H,11H2,1-2H3,(H,20,21)
InChIKeyZTCSPUMDHIDUKD-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds4

About N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide

N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide (PubChem CID 114479664) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide
PubChem CID114479664
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2ccc(C#N)cc2C)c1
InChIInChI=1S/C17H17N3O/c1-12-8-14(10-18)6-7-15(12)11-19-16-4-3-5-17(9-16)20-13(2)21/h3-9,19H,11H2,1-2H3,(H,20,21)
InChIKeyZTCSPUMDHIDUKD-UHFFFAOYSA-N
XLogP3.44
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide 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

4-[(4-cyano-2-methylphenyl)methylamino]benzamide
CID 114479640
3-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 43762516
4-[(4-bromo-3,5-dimethylanilino)methyl]-3-methylbenzonitrile
CID 107573699
N-[3-[(4-cyanophenyl)carbamoylamino]phenyl]acetamide
CID 108884114
4-[(3-fluoro-5-methylanilino)methyl]-3-methylbenzonitrile
CID 114480505
methyl N-[3-[(4-chloro-2-methylphenyl)methylamino]phenyl]carbamate
CID 104854030
N-[3-[(5-cyanofuran-2-yl)methylamino]phenyl]acetamide
CID 115652476
N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62473115
methyl 2-[(3-cyanoanilino)methyl]benzoate
CID 43762462
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139
3-methyl-4-[(2,4,5-trichloroanilino)methyl]benzonitrile
CID 114479610
4-[(3-bromo-4-methoxyanilino)methyl]-3-methylbenzonitrile
CID 114480463

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide (CID 114479664) is N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCc2ccc(C#N)cc2C)c1.
What is the InChIKey of N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide?
The InChIKey is ZTCSPUMDHIDUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-8-14(10-18)6-7-15(12)11-19-16-4-3-5-17(9-16)20-13(2)21/h3-9,19H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide?
N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 114479664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).