2,2-dimethylicos-11-enamide

C22H43NO — CID 57244584

IUPAC2,2-dimethylicos-11-enamide
SMILESCCCCCCCCC=CCCCCCCCCC(C)(C)C(N)=O
InChIInChI=1S/C22H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21(23)24/h11-12H,4-10,13-20H2,1-3H3,(H2,23,24)
InChIKeyXIHOGOUEYYDEGB-UHFFFAOYSA-N
MW337.59 g/mol
LogP6.93
Rot. Bonds17

About 2,2-dimethylicos-11-enamide

2,2-dimethylicos-11-enamide (PubChem CID 57244584) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is 2,2-dimethylicos-11-enamide.

Molecular Properties

Compound Name2,2-dimethylicos-11-enamide
PubChem CID57244584
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name2,2-dimethylicos-11-enamide
SMILESCCCCCCCCC=CCCCCCCCCC(C)(C)C(N)=O
InChIInChI=1S/C22H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21(23)24/h11-12H,4-10,13-20H2,1-3H3,(H2,23,24)
InChIKeyXIHOGOUEYYDEGB-UHFFFAOYSA-N
XLogP6.93
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dimethylicos-11-enamide 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

2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldecanamide
CID 22596903
2-ethyl-2-hydroxyoctadec-9-enamide
CID 173437552
2,2,3,3-tetramethyloctadec-9-enoic acid
CID 57173563
methyl 2,2-dimethylnonadeca-10,13-dienoate
CID 123723232
(Z)-2-aminoicos-11-en-2-ol
CID 87700839
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
octadec-9-enamide
CID 75990485
(Z)-tricos-15-enamide
CID 155109212
nonadec-3-enamide
CID 54215031

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylicos-11-enamide?
The IUPAC name of 2,2-dimethylicos-11-enamide (CID 57244584) is 2,2-dimethylicos-11-enamide.
What is the SMILES notation for 2,2-dimethylicos-11-enamide?
The canonical SMILES for 2,2-dimethylicos-11-enamide is CCCCCCCCC=CCCCCCCCCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethylicos-11-enamide?
The InChIKey is XIHOGOUEYYDEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2,3)21(23)24/h11-12H,4-10,13-20H2,1-3H3,(H2,23,24).
What are the key properties of 2,2-dimethylicos-11-enamide?
2,2-dimethylicos-11-enamide has a molecular weight of 337.59 g/mol, XLogP of 6.93, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylicos-11-enamide is sourced from PubChem (CID 57244584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).