N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide

C18H19N3O — CID 109019404

IUPACN-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccccc1CNCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H19N3O/c1-14-5-2-3-7-16(14)13-20-10-9-18(22)21-17-8-4-6-15(11-17)12-19/h2-8,11,20H,9-10,13H2,1H3,(H,21,22)
InChIKeyBPRNTCSTAJVZQN-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.99
Rot. Bonds6

About N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide

N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide (PubChem CID 109019404) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide
PubChem CID109019404
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCc1ccccc1CNCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C18H19N3O/c1-14-5-2-3-7-16(14)13-20-10-9-18(22)21-17-8-4-6-15(11-17)12-19/h2-8,11,20H,9-10,13H2,1H3,(H,21,22)
InChIKeyBPRNTCSTAJVZQN-UHFFFAOYSA-N
XLogP2.99
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019343
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-cyanophenyl)propanamide
CID 113118535
N-(3-cyanophenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036090
3-[(4-chlorophenyl)methylamino]-N-(3-cyanophenyl)propanamide
CID 109021937
N-(3-cyanophenyl)-3-(2,6-diethylanilino)propanamide
CID 109037144
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689054
2-[2-(3-cyanoanilino)-2-oxoethyl]benzoic acid
CID 53368897
N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035241
N-[3-(3-cyanoanilino)-3-oxopropyl]-4-(2-methylphenyl)benzamide
CID 142065302
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide (CID 109019404) is N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide is Cc1ccccc1CNCCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The InChIKey is BPRNTCSTAJVZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-5-2-3-7-16(14)13-20-10-9-18(22)21-17-8-4-6-15(11-17)12-19/h2-8,11,20H,9-10,13H2,1H3,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide?
N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide has a molecular weight of 293.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-[(2-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).