N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide

C14H25NO2 — CID 71796915

IUPACN-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide
SMILESCC(C)(C)C(O)CCNC(=O)C1CC=CCC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)12(16)9-10-15-13(17)11-7-5-4-6-8-11/h4-5,11-12,16H,6-10H2,1-3H3,(H,15,17)
InChIKeyONCJMTMBEOKBKK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.26
Rot. Bonds4

About N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide

N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide (PubChem CID 71796915) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide
PubChem CID71796915
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide
SMILESCC(C)(C)C(O)CCNC(=O)C1CC=CCC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)12(16)9-10-15-13(17)11-7-5-4-6-8-11/h4-5,11-12,16H,6-10H2,1-3H3,(H,15,17)
InChIKeyONCJMTMBEOKBKK-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.26
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-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide (CID 71796915) is N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide is CC(C)(C)C(O)CCNC(=O)C1CC=CCC1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is ONCJMTMBEOKBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,3)12(16)9-10-15-13(17)11-7-5-4-6-8-11/h4-5,11-12,16H,6-10H2,1-3H3,(H,15,17).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide?
N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71796915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).