N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide

C13H17N3O — CID 3063404

IUPACN-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide
SMILESCC(C(=O)NC(C#N)c1ccccc1)N(C)C
InChIInChI=1S/C13H17N3O/c1-10(16(2)3)13(17)15-12(9-14)11-7-5-4-6-8-11/h4-8,10,12H,1-3H3,(H,15,17)
InChIKeyBCWYMKLESLJZIQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.32
Rot. Bonds4

About N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide

N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide (PubChem CID 3063404) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide
PubChem CID3063404
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide
SMILESCC(C(=O)NC(C#N)c1ccccc1)N(C)C
InChIInChI=1S/C13H17N3O/c1-10(16(2)3)13(17)15-12(9-14)11-7-5-4-6-8-11/h4-8,10,12H,1-3H3,(H,15,17)
InChIKeyBCWYMKLESLJZIQ-UHFFFAOYSA-N
XLogP1.32
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide 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

Lacosamide
CID 219078
Lisdexamfetamine
CID 11597698
Spm-6953
CID 10634426
N-benzyl-2-acetamido-3-methoxypropionamide
CID 21634109
1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
Leucyl-phenylalanine amide
CID 3082491
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
(R)-2-Amino-N-benzyl-3-methoxypropionamide
CID 10104501
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
N-benzyl-2-cyanoacetamide
CID 668298
(2S)-1-{2-[(2-phenylethyl)amino]acetyl}pyrrolidine-2-carbonitrile
CID 11076103
N-acetyl-phenylalanyl-glycine-nitrile
CID 11086036

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide?
The IUPAC name of N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide (CID 3063404) is N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide is CC(C(=O)NC(C#N)c1ccccc1)N(C)C.
What is the InChIKey of N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide?
The InChIKey is BCWYMKLESLJZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(16(2)3)13(17)15-12(9-14)11-7-5-4-6-8-11/h4-8,10,12H,1-3H3,(H,15,17).
What are the key properties of N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide?
N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide has a molecular weight of 231.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]-2-(dimethylamino)propanamide is sourced from PubChem (CID 3063404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).