2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide

C14H17N3O — CID 54982622

IUPAC2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide
SMILESN#CCCN(CC(=O)Nc1ccccc1)C1CC1
InChIInChI=1S/C14H17N3O/c15-9-4-10-17(13-7-8-13)11-14(18)16-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-8,10-11H2,(H,16,18)
InChIKeyPYGUSPZUAMMTHS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.00
Rot. Bonds6

About 2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide

2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide (PubChem CID 54982622) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide
PubChem CID54982622
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide
SMILESN#CCCN(CC(=O)Nc1ccccc1)C1CC1
InChIInChI=1S/C14H17N3O/c15-9-4-10-17(13-7-8-13)11-14(18)16-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-8,10-11H2,(H,16,18)
InChIKeyPYGUSPZUAMMTHS-UHFFFAOYSA-N
XLogP2.00
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3-cyanoanilino)-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 60839707
2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide
CID 86979758
2-[cyclopropyl-[[(3S)-oxolan-3-yl]methyl]amino]-N-phenylacetamide
CID 51728486
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 84568147
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
N-(4-aminophenyl)-2-[N-(2-cyanoethyl)anilino]acetamide
CID 43824011
3-[cyclopropyl-[2-(3-ethylanilino)-2-oxoethyl]amino]propanoic acid
CID 60838182
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 55135554
N-(3-aminophenyl)-2-[cyclopropyl(2-methoxyethyl)amino]acetamide
CID 61450066
4-[[2-[cyclopropyl(2-hydroxyethyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 60510107
2-[2-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]phenyl]acetic acid
CID 62535184

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide?
The IUPAC name of 2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide (CID 54982622) is 2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide is N#CCCN(CC(=O)Nc1ccccc1)C1CC1.
What is the InChIKey of 2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide?
The InChIKey is PYGUSPZUAMMTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-9-4-10-17(13-7-8-13)11-14(18)16-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-8,10-11H2,(H,16,18).
What are the key properties of 2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide?
2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide has a molecular weight of 243.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide is sourced from PubChem (CID 54982622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).