1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide

C24H46N2O2 — CID 622369

IUPAC1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide
SMILESCCCCCCCN(C)C(=O)C1CCCCC1C(=O)N(C)CCCCCCC
InChIInChI=1S/C24H46N2O2/c1-5-7-9-11-15-19-25(3)23(27)21-17-13-14-18-22(21)24(28)26(4)20-16-12-10-8-6-2/h21-22H,5-20H2,1-4H3
InChIKeyXHCWRJRASPWLLP-UHFFFAOYSA-N
MW394.64 g/mol
LogP5.65
Rot. Bonds14

About 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide

1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide (PubChem CID 622369) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide
PubChem CID622369
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Name1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide
SMILESCCCCCCCN(C)C(=O)C1CCCCC1C(=O)N(C)CCCCCCC
InChIInChI=1S/C24H46N2O2/c1-5-7-9-11-15-19-25(3)23(27)21-17-13-14-18-22(21)24(28)26(4)20-16-12-10-8-6-2/h21-22H,5-20H2,1-4H3
InChIKeyXHCWRJRASPWLLP-UHFFFAOYSA-N
XLogP5.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide (CID 622369) is 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide is CCCCCCCN(C)C(=O)C1CCCCC1C(=O)N(C)CCCCCCC.
What is the InChIKey of 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide?
The InChIKey is XHCWRJRASPWLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-5-7-9-11-15-19-25(3)23(27)21-17-13-14-18-22(21)24(28)26(4)20-16-12-10-8-6-2/h21-22H,5-20H2,1-4H3.
What are the key properties of 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide?
1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide has a molecular weight of 394.64 g/mol, XLogP of 5.65, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diheptyl-1-N,2-N-dimethylcyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 622369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).