N-(2-cyanoethyl)-N-phenyloctanamide

C17H24N2O — CID 43085178

IUPACN-(2-cyanoethyl)-N-phenyloctanamide
SMILESCCCCCCCC(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-2-3-4-5-9-13-17(20)19(15-10-14-18)16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13,15H2,1H3
InChIKeyXJZZKYHUSWWHEG-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.29
Rot. Bonds9

About N-(2-cyanoethyl)-N-phenyloctanamide

N-(2-cyanoethyl)-N-phenyloctanamide (PubChem CID 43085178) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-phenyloctanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-phenyloctanamide
PubChem CID43085178
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2-cyanoethyl)-N-phenyloctanamide
SMILESCCCCCCCC(=O)N(CCC#N)c1ccccc1
InChIInChI=1S/C17H24N2O/c1-2-3-4-5-9-13-17(20)19(15-10-14-18)16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13,15H2,1H3
InChIKeyXJZZKYHUSWWHEG-UHFFFAOYSA-N
XLogP4.29
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(N-octanoylanilino)propanoic acid
CID 60831115
N-ethyl-N-phenyloctadecanamide
CID 151424183
N-(4-butylphenyl)-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56516047
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
N,N-bis(2-cyanoethyl)dodecanamide
CID 3396127
N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide
CID 43911774
N-methyl-N-phenylnonanamide
CID 54136731
2-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanoethyl)-N-phenylacetamide
CID 55375669
N-(2-cyanoethyl)-2,2-dimethyl-N-phenylbutanamide
CID 62679945
N-(2-cyanoethyl)-N-ethylheptanamide
CID 115610951
N-[3-(3-methylbutanoylamino)propyl]-N-phenyloctanamide
CID 42702502
N-hexyl-N-pyridin-4-yloctanamide
CID 102480897

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-phenyloctanamide?
The IUPAC name of N-(2-cyanoethyl)-N-phenyloctanamide (CID 43085178) is N-(2-cyanoethyl)-N-phenyloctanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-phenyloctanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-phenyloctanamide is CCCCCCCC(=O)N(CCC#N)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-phenyloctanamide?
The InChIKey is XJZZKYHUSWWHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-3-4-5-9-13-17(20)19(15-10-14-18)16-11-7-6-8-12-16/h6-8,11-12H,2-5,9-10,13,15H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-phenyloctanamide?
N-(2-cyanoethyl)-N-phenyloctanamide has a molecular weight of 272.39 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-phenyloctanamide is sourced from PubChem (CID 43085178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).