N-(2-cyanoethyl)butanamide

C7H12N2O — CID 14899794

IUPACN-(2-cyanoethyl)butanamide
SMILESCCCC(=O)NCCC#N
InChIInChI=1S/C7H12N2O/c1-2-4-7(10)9-6-3-5-8/h2-4,6H2,1H3,(H,9,10)
InChIKeyWTPANPSKKAVEQV-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.82
Rot. Bonds4

About N-(2-cyanoethyl)butanamide

N-(2-cyanoethyl)butanamide (PubChem CID 14899794) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(2-cyanoethyl)butanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)butanamide
PubChem CID14899794
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(2-cyanoethyl)butanamide
SMILESCCCC(=O)NCCC#N
InChIInChI=1S/C7H12N2O/c1-2-4-7(10)9-6-3-5-8/h2-4,6H2,1H3,(H,9,10)
InChIKeyWTPANPSKKAVEQV-UHFFFAOYSA-N
XLogP0.82
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanobutyl)octanamide
CID 63284822
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
1-(2-cyanoethyl)-3-ethylurea
CID 60971056
3-cyano-N-(3,3-dimethylbutyl)propanamide
CID 115173922
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
N-(2-cyanoethyl)-2-(hexan-2-ylamino)acetamide
CID 62199849
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
N-(2-aminoethyl)butanamide;ethane
CID 143117924
N-[3-[bis(2-cyanoethyl)amino]propyl]hexadecanamide
CID 101100760
5-(2-cyanoethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933016
2-[[2-(2-cyanoethylamino)-2-oxoethyl]-methylamino]acetic acid
CID 43442289
N-[3-(methylamino)propyl]butanamide
CID 43600791

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)butanamide?
The IUPAC name of N-(2-cyanoethyl)butanamide (CID 14899794) is N-(2-cyanoethyl)butanamide.
What is the SMILES notation for N-(2-cyanoethyl)butanamide?
The canonical SMILES for N-(2-cyanoethyl)butanamide is CCCC(=O)NCCC#N.
What is the InChIKey of N-(2-cyanoethyl)butanamide?
The InChIKey is WTPANPSKKAVEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-4-7(10)9-6-3-5-8/h2-4,6H2,1H3,(H,9,10).
What are the key properties of N-(2-cyanoethyl)butanamide?
N-(2-cyanoethyl)butanamide has a molecular weight of 140.19 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)butanamide is sourced from PubChem (CID 14899794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).