N-octadec-9-enylimidazole-1-carboxamide

C22H39N3O — CID 54037396

IUPACN-octadec-9-enylimidazole-1-carboxamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)n1ccnc1
InChIInChI=1S/C22H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22(26)25-20-19-23-21-25/h9-10,19-21H,2-8,11-18H2,1H3,(H,24,26)
InChIKeyLJXWFQWHYIUFHP-UHFFFAOYSA-N
MW361.57 g/mol
LogP6.48
Rot. Bonds16

About N-octadec-9-enylimidazole-1-carboxamide

N-octadec-9-enylimidazole-1-carboxamide (PubChem CID 54037396) has the molecular formula C22H39N3O and a molecular weight of 361.57 g/mol. Its IUPAC name is N-octadec-9-enylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-octadec-9-enylimidazole-1-carboxamide
PubChem CID54037396
Molecular FormulaC22H39N3O
Molecular Weight361.57 g/mol
Exact Mass361.31
IUPAC NameN-octadec-9-enylimidazole-1-carboxamide
SMILESCCCCCCCCC=CCCCCCCCCNC(=O)n1ccnc1
InChIInChI=1S/C22H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22(26)25-20-19-23-21-25/h9-10,19-21H,2-8,11-18H2,1H3,(H,24,26)
InChIKeyLJXWFQWHYIUFHP-UHFFFAOYSA-N
XLogP6.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-octadec-9-enylimidazole-1-carboxamide 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

4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide
CID 58661279
1-[(Z)-octadec-9-enyl]-3-[6-[[(Z)-octadec-9-enyl]carbamoylamino]hexyl]urea
CID 159541193
N-(2-sulfanylethyl)imidazole-1-carboxamide
CID 58107367
N-[2-(ethylamino)-2-oxoethyl]imidazole-1-carboxamide
CID 43566693
N-[3-[methyl(propan-2-yl)amino]propyl]imidazole-1-carboxamide
CID 106037947
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
N-tetradecyloctadec-9-enamide
CID 90860718
(E)-N-[6-[[(E)-octadec-9-enoyl]amino]hexyl]octadec-9-enamide
CID 6296113
N-docos-13-enylhexadecanamide
CID 54193549
N-hexyloctadec-9-enamide
CID 57210632
(E)-N-pentadecyloctadec-9-enamide
CID 166963229
(Z)-N-tetradecyldocos-13-enamide
CID 142707286

Frequently Asked Questions

What is the IUPAC name of N-octadec-9-enylimidazole-1-carboxamide?
The IUPAC name of N-octadec-9-enylimidazole-1-carboxamide (CID 54037396) is N-octadec-9-enylimidazole-1-carboxamide.
What is the SMILES notation for N-octadec-9-enylimidazole-1-carboxamide?
The canonical SMILES for N-octadec-9-enylimidazole-1-carboxamide is CCCCCCCCC=CCCCCCCCCNC(=O)n1ccnc1.
What is the InChIKey of N-octadec-9-enylimidazole-1-carboxamide?
The InChIKey is LJXWFQWHYIUFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22(26)25-20-19-23-21-25/h9-10,19-21H,2-8,11-18H2,1H3,(H,24,26).
What are the key properties of N-octadec-9-enylimidazole-1-carboxamide?
N-octadec-9-enylimidazole-1-carboxamide has a molecular weight of 361.57 g/mol, XLogP of 6.48, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadec-9-enylimidazole-1-carboxamide is sourced from PubChem (CID 54037396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).