2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide

C15H19N3O — CID 24703101

IUPAC2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide
SMILESN#CCCN(CC(=O)NCC1CC1)c1ccccc1
InChIInChI=1S/C15H19N3O/c16-9-4-10-18(14-5-2-1-3-6-14)12-15(19)17-11-13-7-8-13/h1-3,5-6,13H,4,7-8,10-12H2,(H,17,19)
InChIKeyPKIGPZARNWAGLB-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.93
Rot. Bonds7

About 2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide

2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide (PubChem CID 24703101) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide
PubChem CID24703101
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide
SMILESN#CCCN(CC(=O)NCC1CC1)c1ccccc1
InChIInChI=1S/C15H19N3O/c16-9-4-10-18(14-5-2-1-3-6-14)12-15(19)17-11-13-7-8-13/h1-3,5-6,13H,4,7-8,10-12H2,(H,17,19)
InChIKeyPKIGPZARNWAGLB-UHFFFAOYSA-N
XLogP1.93
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide 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-[N-(2-cyanoethyl)anilino]acetohydrazide
CID 63570453
N-carbamoyl-2-[N-(2-cyanoethyl)anilino]acetamide
CID 24692153
N-(cyclopropylmethyl)-2-(N-[(2S)-2-hydroxypropyl]anilino)acetamide
CID 52910290
3-(N-[2-(2-cyanoethylamino)-2-oxoethyl]anilino)propanoic acid
CID 60839580
N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide
CID 43824011
2-[benzyl(ethyl)amino]-N-(cyclopropylmethyl)acetamide
CID 134038287
3-(N-[2-(2-bromophenyl)-2-oxoethyl]anilino)propanenitrile
CID 60679700
3-(N-[2-(4-methylphenyl)-2-oxoethyl]anilino)propanenitrile
CID 62050959
3-(N-[2-(5-bromothiophen-2-yl)-2-oxoethyl]anilino)propanenitrile
CID 60679689
2-[N-(4-cyanobutyl)anilino]acetic acid
CID 54925845
2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide
CID 54982622
5-[N-(2-cyanoethyl)anilino]pentanehydrazide
CID 63570456

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide (CID 24703101) is 2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide is N#CCCN(CC(=O)NCC1CC1)c1ccccc1.
What is the InChIKey of 2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is PKIGPZARNWAGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-4-10-18(14-5-2-1-3-6-14)12-15(19)17-11-13-7-8-13/h1-3,5-6,13H,4,7-8,10-12H2,(H,17,19).
What are the key properties of 2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide?
2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-cyanoethyl)anilino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 24703101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).