N-(2-cyanoethyl)-N-ethylheptanamide

C12H22N2O — CID 115610951

IUPACN-(2-cyanoethyl)-N-ethylheptanamide
SMILESCCCCCCC(=O)N(CC)CCC#N
InChIInChI=1S/C12H22N2O/c1-3-5-6-7-9-12(15)14(4-2)11-8-10-13/h3-9,11H2,1-2H3
InChIKeyIDKNPFVCURSSGN-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.72
Rot. Bonds8

About N-(2-cyanoethyl)-N-ethylheptanamide

N-(2-cyanoethyl)-N-ethylheptanamide (PubChem CID 115610951) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-ethylheptanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-ethylheptanamide
PubChem CID115610951
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(2-cyanoethyl)-N-ethylheptanamide
SMILESCCCCCCC(=O)N(CC)CCC#N
InChIInChI=1S/C12H22N2O/c1-3-5-6-7-9-12(15)14(4-2)11-8-10-13/h3-9,11H2,1-2H3
InChIKeyIDKNPFVCURSSGN-UHFFFAOYSA-N
XLogP2.72
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-cyanoethyl)-N-ethylheptanamide 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-bis(2-cyanoethyl)dodecanamide
CID 3396127
N-(2-cyanoethyl)-N-(2-methoxyethyl)nonanamide
CID 63237477
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
N-ethyl-N-octylbutanamide
CID 138793187
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-butyl-N-ethylpentanamide
CID 4629847
N,N-di(nonyl)octanamide
CID 533141
N,N-dipropylnonadecanamide
CID 12960009
N,N-dioctyltetradecanamide
CID 169083302

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-ethylheptanamide?
The IUPAC name of N-(2-cyanoethyl)-N-ethylheptanamide (CID 115610951) is N-(2-cyanoethyl)-N-ethylheptanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-ethylheptanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-ethylheptanamide is CCCCCCC(=O)N(CC)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-ethylheptanamide?
The InChIKey is IDKNPFVCURSSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-6-7-9-12(15)14(4-2)11-8-10-13/h3-9,11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-ethylheptanamide?
N-(2-cyanoethyl)-N-ethylheptanamide has a molecular weight of 210.32 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-ethylheptanamide is sourced from PubChem (CID 115610951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).