2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide

C15H21N3O — CID 103851440

IUPAC2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccccc1C#N
InChIInChI=1S/C15H21N3O/c1-4-18(5-2)15(19)12(3)17-11-14-9-7-6-8-13(14)10-16/h6-9,12,17H,4-5,11H2,1-3H3
InChIKeyPEHKGZOLYDGKAG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.90
Rot. Bonds6

About 2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide

2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide (PubChem CID 103851440) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide
PubChem CID103851440
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)NCc1ccccc1C#N
InChIInChI=1S/C15H21N3O/c1-4-18(5-2)15(19)12(3)17-11-14-9-7-6-8-13(14)10-16/h6-9,12,17H,4-5,11H2,1-3H3
InChIKeyPEHKGZOLYDGKAG-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide 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

N,N-diethyl-2-[(2-nitrophenyl)methylamino]propanamide
CID 43739340
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
N,N-diethyl-2-[(2-hydroxy-3-methoxyphenyl)methylamino]propanamide
CID 43739454
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzonitrile
CID 43179853
tert-butyl N-[2-[(2-cyanophenyl)methylamino]propyl]carbamate
CID 107936041
N,N-diethyl-2-[(4-ethylphenyl)methylamino]propanamide
CID 43739384
2-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]benzonitrile
CID 54958837
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
CID 61355544
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 93034581

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide (CID 103851440) is 2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)NCc1ccccc1C#N.
What is the InChIKey of 2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide?
The InChIKey is PEHKGZOLYDGKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-18(5-2)15(19)12(3)17-11-14-9-7-6-8-13(14)10-16/h6-9,12,17H,4-5,11H2,1-3H3.
What are the key properties of 2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide?
2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyanophenyl)methylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 103851440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).