N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide

C12H21NO2 — CID 66106687

IUPACN-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide
SMILESCC(CCO)CNC(=O)C1CC=CCC1
InChIInChI=1S/C12H21NO2/c1-10(7-8-14)9-13-12(15)11-5-3-2-4-6-11/h2-3,10-11,14H,4-9H2,1H3,(H,13,15)
InChIKeyAFXPYABLMSZMKH-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.48
Rot. Bonds5

About N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide

N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide (PubChem CID 66106687) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide
PubChem CID66106687
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide
SMILESCC(CCO)CNC(=O)C1CC=CCC1
InChIInChI=1S/C12H21NO2/c1-10(7-8-14)9-13-12(15)11-5-3-2-4-6-11/h2-3,10-11,14H,4-9H2,1H3,(H,13,15)
InChIKeyAFXPYABLMSZMKH-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide (CID 66106687) is N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide is CC(CCO)CNC(=O)C1CC=CCC1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is AFXPYABLMSZMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(7-8-14)9-13-12(15)11-5-3-2-4-6-11/h2-3,10-11,14H,4-9H2,1H3,(H,13,15).
What are the key properties of N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide?
N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 66106687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).