N-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide

C18H19N3O — CID 109020067

IUPACN-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNCCC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C18H19N3O/c1-14-6-8-15(9-7-14)13-20-11-10-18(22)21-17-5-3-2-4-16(17)12-19/h2-9,20H,10-11,13H2,1H3,(H,21,22)
InChIKeySHHWAURQAFHPOT-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.99
Rot. Bonds6

About N-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide

N-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide (PubChem CID 109020067) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide
PubChem CID109020067
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide
SMILESCc1ccc(CNCCC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C18H19N3O/c1-14-6-8-15(9-7-14)13-20-11-10-18(22)21-17-5-3-2-4-16(17)12-19/h2-9,20H,10-11,13H2,1H3,(H,21,22)
InChIKeySHHWAURQAFHPOT-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-(2-cyanophenyl)-3-hydroxypropanamide
CID 43165059
N-(2-cyanophenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 43824298
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
2-[[3-(2-cyanoanilino)-3-oxopropyl]amino]-2-methylpropanoic acid
CID 65263681
[2-(2-cyanoanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 2462072
3-(2-cyanoanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109036006
5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105328
3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
N-(2-cyanophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392611
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide (CID 109020067) is N-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide is Cc1ccc(CNCCC(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of N-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide?
The InChIKey is SHHWAURQAFHPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-6-8-15(9-7-14)13-20-11-10-18(22)21-17-5-3-2-4-16(17)12-19/h2-9,20H,10-11,13H2,1H3,(H,21,22).
What are the key properties of N-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide?
N-(2-cyanophenyl)-3-[(4-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-(2-cyanophenyl)-3-[(4-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109020067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).