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

C15H21N3O — CID 3063461

IUPACN-[cyano(phenyl)methyl]-2-(diethylamino)propanamide
SMILESCCN(CC)C(C)C(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-4-18(5-2)12(3)15(19)17-14(11-16)13-9-7-6-8-10-13/h6-10,12,14H,4-5H2,1-3H3,(H,17,19)
InChIKeyPHJPBXDBGUPVDE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.10
Rot. Bonds6

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

N-[cyano(phenyl)methyl]-2-(diethylamino)propanamide (PubChem CID 3063461) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-2-(diethylamino)propanamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-2-(diethylamino)propanamide
PubChem CID3063461
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[cyano(phenyl)methyl]-2-(diethylamino)propanamide
SMILESCCN(CC)C(C)C(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C15H21N3O/c1-4-18(5-2)12(3)15(19)17-14(11-16)13-9-7-6-8-10-13/h6-10,12,14H,4-5H2,1-3H3,(H,17,19)
InChIKeyPHJPBXDBGUPVDE-UHFFFAOYSA-N
XLogP2.10
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyano(phenyl)methyl]-2-(diethylamino)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-(diethylamino)propanamide?
The IUPAC name of N-[cyano(phenyl)methyl]-2-(diethylamino)propanamide (CID 3063461) is N-[cyano(phenyl)methyl]-2-(diethylamino)propanamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-2-(diethylamino)propanamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-2-(diethylamino)propanamide is CCN(CC)C(C)C(=O)NC(C#N)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]-2-(diethylamino)propanamide?
The InChIKey is PHJPBXDBGUPVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18(5-2)12(3)15(19)17-14(11-16)13-9-7-6-8-10-13/h6-10,12,14H,4-5H2,1-3H3,(H,17,19).
What are the key properties of N-[cyano(phenyl)methyl]-2-(diethylamino)propanamide?
N-[cyano(phenyl)methyl]-2-(diethylamino)propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.10, 6 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-(diethylamino)propanamide is sourced from PubChem (CID 3063461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).