N-cyclohexyl-2-methyloctadec-9-enamide

C25H47NO — CID 54012954

IUPACN-cyclohexyl-2-methyloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C25H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(2)25(27)26-24-21-18-16-19-22-24/h10-11,23-24H,3-9,12-22H2,1-2H3,(H,26,27)
InChIKeyMJTOLQWXRMIAQG-UHFFFAOYSA-N
MW377.66 g/mol
LogP7.72
Rot. Bonds16

About N-cyclohexyl-2-methyloctadec-9-enamide

N-cyclohexyl-2-methyloctadec-9-enamide (PubChem CID 54012954) has the molecular formula C25H47NO and a molecular weight of 377.66 g/mol. Its IUPAC name is N-cyclohexyl-2-methyloctadec-9-enamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyloctadec-9-enamide
PubChem CID54012954
Molecular FormulaC25H47NO
Molecular Weight377.66 g/mol
Exact Mass377.37
IUPAC NameN-cyclohexyl-2-methyloctadec-9-enamide
SMILESCCCCCCCCC=CCCCCCCC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C25H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(2)25(27)26-24-21-18-16-19-22-24/h10-11,23-24H,3-9,12-22H2,1-2H3,(H,26,27)
InChIKeyMJTOLQWXRMIAQG-UHFFFAOYSA-N
XLogP7.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.66
LogP ≤ 57.72
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'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyloctadec-9-enamide?
The IUPAC name of N-cyclohexyl-2-methyloctadec-9-enamide (CID 54012954) is N-cyclohexyl-2-methyloctadec-9-enamide.
What is the SMILES notation for N-cyclohexyl-2-methyloctadec-9-enamide?
The canonical SMILES for N-cyclohexyl-2-methyloctadec-9-enamide is CCCCCCCCC=CCCCCCCC(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methyloctadec-9-enamide?
The InChIKey is MJTOLQWXRMIAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(2)25(27)26-24-21-18-16-19-22-24/h10-11,23-24H,3-9,12-22H2,1-2H3,(H,26,27).
What are the key properties of N-cyclohexyl-2-methyloctadec-9-enamide?
N-cyclohexyl-2-methyloctadec-9-enamide has a molecular weight of 377.66 g/mol, XLogP of 7.72, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyloctadec-9-enamide is sourced from PubChem (CID 54012954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).