N-cyclohexyl-2,3-dimethyltridec-2-enamide

C21H39NO — CID 57248492

IUPACN-cyclohexyl-2,3-dimethyltridec-2-enamide
SMILESCCCCCCCCCCC(C)=C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C21H39NO/c1-4-5-6-7-8-9-10-12-15-18(2)19(3)21(23)22-20-16-13-11-14-17-20/h20H,4-17H2,1-3H3,(H,22,23)
InChIKeyVXPWJURULVDOEZ-UHFFFAOYSA-N
MW321.55 g/mol
LogP6.30
Rot. Bonds11

About N-cyclohexyl-2,3-dimethyltridec-2-enamide

N-cyclohexyl-2,3-dimethyltridec-2-enamide (PubChem CID 57248492) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is N-cyclohexyl-2,3-dimethyltridec-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-2,3-dimethyltridec-2-enamide
PubChem CID57248492
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC NameN-cyclohexyl-2,3-dimethyltridec-2-enamide
SMILESCCCCCCCCCCC(C)=C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C21H39NO/c1-4-5-6-7-8-9-10-12-15-18(2)19(3)21(23)22-20-16-13-11-14-17-20/h20H,4-17H2,1-3H3,(H,22,23)
InChIKeyVXPWJURULVDOEZ-UHFFFAOYSA-N
XLogP6.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,3-dimethyltridec-2-enamide?
The IUPAC name of N-cyclohexyl-2,3-dimethyltridec-2-enamide (CID 57248492) is N-cyclohexyl-2,3-dimethyltridec-2-enamide.
What is the SMILES notation for N-cyclohexyl-2,3-dimethyltridec-2-enamide?
The canonical SMILES for N-cyclohexyl-2,3-dimethyltridec-2-enamide is CCCCCCCCCCC(C)=C(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,3-dimethyltridec-2-enamide?
The InChIKey is VXPWJURULVDOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO/c1-4-5-6-7-8-9-10-12-15-18(2)19(3)21(23)22-20-16-13-11-14-17-20/h20H,4-17H2,1-3H3,(H,22,23).
What are the key properties of N-cyclohexyl-2,3-dimethyltridec-2-enamide?
N-cyclohexyl-2,3-dimethyltridec-2-enamide has a molecular weight of 321.55 g/mol, XLogP of 6.30, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,3-dimethyltridec-2-enamide is sourced from PubChem (CID 57248492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).