N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide

C17H17N3O — CID 78965143

IUPACN-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(C#N)cc2N)c1
InChIInChI=1S/C17H17N3O/c1-12-3-2-4-13(9-12)6-8-17(21)20-16-7-5-14(11-18)10-15(16)19/h2-5,7,9-10H,6,8,19H2,1H3,(H,20,21)
InChIKeyOWJNHANFTKWQSV-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.02
Rot. Bonds4

About N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide

N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide (PubChem CID 78965143) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide
PubChem CID78965143
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(C#N)cc2N)c1
InChIInChI=1S/C17H17N3O/c1-12-3-2-4-13(9-12)6-8-17(21)20-16-7-5-14(11-18)10-15(16)19/h2-5,7,9-10H,6,8,19H2,1H3,(H,20,21)
InChIKeyOWJNHANFTKWQSV-UHFFFAOYSA-N
XLogP3.02
TPSA78.91 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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62366718
N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62367069
1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea
CID 78965300
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
3-(4-cyanophenyl)-N-(2-fluoro-5-methylphenyl)propanamide
CID 41486884
N-(2-amino-4-cyanophenyl)-2-methylsulfanylacetamide
CID 78965600
N-(3-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
CID 62367240
N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
CID 108922603
N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 62058474
N-(4-amino-2,6-dimethylphenyl)-3-(3-methylphenyl)propanamide
CID 79994081
N-(2-bromo-5-methylphenyl)-3-(3-methylphenyl)propanamide
CID 82706258
N-(2,6-difluorophenyl)-3-(3-methylphenyl)propanamide
CID 51277484

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide (CID 78965143) is N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2ccc(C#N)cc2N)c1.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide?
The InChIKey is OWJNHANFTKWQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-3-2-4-13(9-12)6-8-17(21)20-16-7-5-14(11-18)10-15(16)19/h2-5,7,9-10H,6,8,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide?
N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 78965143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).