N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide

C15H19N3O2 — CID 62878068

IUPACN-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide
SMILESCCCCN(CC(N)=O)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-2-3-9-18(11-14(17)19)15(20)13(10-16)12-7-5-4-6-8-12/h4-8,13H,2-3,9,11H2,1H3,(H2,17,19)
InChIKeyKRCQCXUOIKFUHD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.41
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide

N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide (PubChem CID 62878068) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide
PubChem CID62878068
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide
SMILESCCCCN(CC(N)=O)C(=O)C(C#N)c1ccccc1
InChIInChI=1S/C15H19N3O2/c1-2-3-9-18(11-14(17)19)15(20)13(10-16)12-7-5-4-6-8-12/h4-8,13H,2-3,9,11H2,1H3,(H2,17,19)
InChIKeyKRCQCXUOIKFUHD-UHFFFAOYSA-N
XLogP1.41
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide 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

2-amino-N-(2-amino-2-oxoethyl)-N-butyl-2-phenylacetamide
CID 60946442
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 62878774
2-cyano-N-methyl-N-pentyl-2-phenylacetamide
CID 62877008
4-(dipentylamino)-3-oxo-2-phenylbutanenitrile
CID 19245457
N-(2-amino-2-oxoethyl)-2-cyano-N-cyclopentyl-2-phenylacetamide
CID 62879122
3-amino-N,N-dibutyl-2-phenyl-3-sulfanylidenepropanamide
CID 62876706
2-cyano-N-methyl-N-pentan-3-yl-2-phenylacetamide
CID 62877708
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 62877874
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
CID 107479516
3-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878005
2-amino-N-(2-amino-2-oxoethyl)-N-butylbutanamide
CID 60946996

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide (CID 62878068) is N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide is CCCCN(CC(N)=O)C(=O)C(C#N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide?
The InChIKey is KRCQCXUOIKFUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-3-9-18(11-14(17)19)15(20)13(10-16)12-7-5-4-6-8-12/h4-8,13H,2-3,9,11H2,1H3,(H2,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide?
N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide has a molecular weight of 273.34 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-2-cyano-2-phenylacetamide is sourced from PubChem (CID 62878068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).