N,N-didecylcyclohexanecarboxamide

C27H53NO — CID 533218

IUPACN,N-didecylcyclohexanecarboxamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)C1CCCCC1
InChIInChI=1S/C27H53NO/c1-3-5-7-9-11-13-15-20-24-28(27(29)26-22-18-17-19-23-26)25-21-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3
InChIKeyFINJVAYPYJWSHY-UHFFFAOYSA-N
MW407.73 g/mol
LogP8.68
Rot. Bonds19

About N,N-didecylcyclohexanecarboxamide

N,N-didecylcyclohexanecarboxamide (PubChem CID 533218) has the molecular formula C27H53NO and a molecular weight of 407.73 g/mol. Its IUPAC name is N,N-didecylcyclohexanecarboxamide.

Molecular Properties

Compound NameN,N-didecylcyclohexanecarboxamide
PubChem CID533218
Molecular FormulaC27H53NO
Molecular Weight407.73 g/mol
Exact Mass407.41
IUPAC NameN,N-didecylcyclohexanecarboxamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)C1CCCCC1
InChIInChI=1S/C27H53NO/c1-3-5-7-9-11-13-15-20-24-28(27(29)26-22-18-17-19-23-26)25-21-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3
InChIKeyFINJVAYPYJWSHY-UHFFFAOYSA-N
XLogP8.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.73
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N,N-didecylcyclohexanecarboxamide?
The IUPAC name of N,N-didecylcyclohexanecarboxamide (CID 533218) is N,N-didecylcyclohexanecarboxamide.
What is the SMILES notation for N,N-didecylcyclohexanecarboxamide?
The canonical SMILES for N,N-didecylcyclohexanecarboxamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)C1CCCCC1.
What is the InChIKey of N,N-didecylcyclohexanecarboxamide?
The InChIKey is FINJVAYPYJWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53NO/c1-3-5-7-9-11-13-15-20-24-28(27(29)26-22-18-17-19-23-26)25-21-16-14-12-10-8-6-4-2/h26H,3-25H2,1-2H3.
What are the key properties of N,N-didecylcyclohexanecarboxamide?
N,N-didecylcyclohexanecarboxamide has a molecular weight of 407.73 g/mol, XLogP of 8.68, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecylcyclohexanecarboxamide is sourced from PubChem (CID 533218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).