N,N-bis(2-cyanoethyl)dodecanamide

C18H31N3O — CID 3396127

IUPACN,N-bis(2-cyanoethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C18H31N3O/c1-2-3-4-5-6-7-8-9-10-13-18(22)21(16-11-14-19)17-12-15-20/h2-13,16-17H2,1H3
InChIKeyJCYXSXBAIPQIQW-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.56
Rot. Bonds14

About N,N-bis(2-cyanoethyl)dodecanamide

N,N-bis(2-cyanoethyl)dodecanamide (PubChem CID 3396127) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)dodecanamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)dodecanamide
PubChem CID3396127
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN,N-bis(2-cyanoethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C18H31N3O/c1-2-3-4-5-6-7-8-9-10-13-18(22)21(16-11-14-19)17-12-15-20/h2-13,16-17H2,1H3
InChIKeyJCYXSXBAIPQIQW-UHFFFAOYSA-N
XLogP4.56
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-ethylheptanamide
CID 115610951
N-(2-cyanoethyl)-N-(2-methoxyethyl)nonanamide
CID 63237477
N,N-dipropylnonadecanamide
CID 12960009
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
N-butyl-N-octyldecanamide
CID 18913402
N,N-di(undecyl)pentanamide
CID 532896
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
N-(2-cyanoethyl)-N-phenyloctanamide
CID 43085178
N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)dodecanamide?
The IUPAC name of N,N-bis(2-cyanoethyl)dodecanamide (CID 3396127) is N,N-bis(2-cyanoethyl)dodecanamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)dodecanamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)dodecanamide is CCCCCCCCCCCC(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)dodecanamide?
The InChIKey is JCYXSXBAIPQIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-2-3-4-5-6-7-8-9-10-13-18(22)21(16-11-14-19)17-12-15-20/h2-13,16-17H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)dodecanamide?
N,N-bis(2-cyanoethyl)dodecanamide has a molecular weight of 305.47 g/mol, XLogP of 4.56, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)dodecanamide is sourced from PubChem (CID 3396127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).