N-butylcyclohexanecarboxamide

C11H21NO — CID 3544722

IUPACN-butylcyclohexanecarboxamide
SMILESCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C11H21NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,12,13)
InChIKeyWHJBSNFKYDXSDN-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.48
Rot. Bonds4

About N-butylcyclohexanecarboxamide

N-butylcyclohexanecarboxamide (PubChem CID 3544722) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-butylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-butylcyclohexanecarboxamide
PubChem CID3544722
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-butylcyclohexanecarboxamide
SMILESCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C11H21NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,12,13)
InChIKeyWHJBSNFKYDXSDN-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
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-butylcyclohexanecarboxamide?
The IUPAC name of N-butylcyclohexanecarboxamide (CID 3544722) is N-butylcyclohexanecarboxamide.
What is the SMILES notation for N-butylcyclohexanecarboxamide?
The canonical SMILES for N-butylcyclohexanecarboxamide is CCCCNC(=O)C1CCCCC1.
What is the InChIKey of N-butylcyclohexanecarboxamide?
The InChIKey is WHJBSNFKYDXSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h10H,2-9H2,1H3,(H,12,13).
What are the key properties of N-butylcyclohexanecarboxamide?
N-butylcyclohexanecarboxamide has a molecular weight of 183.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylcyclohexanecarboxamide is sourced from PubChem (CID 3544722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).