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

C13H23NO2 — CID 103772445

IUPACN-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide
SMILESCC(C)(CCO)CNC(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-13(2,8-9-15)10-14-12(16)11-6-4-3-5-7-11/h3-4,11,15H,5-10H2,1-2H3,(H,14,16)
InChIKeyDOXWPOBMEXSRSS-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.87
Rot. Bonds5

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

N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide (PubChem CID 103772445) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide
PubChem CID103772445
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide
SMILESCC(C)(CCO)CNC(=O)C1CC=CCC1
InChIInChI=1S/C13H23NO2/c1-13(2,8-9-15)10-14-12(16)11-6-4-3-5-7-11/h3-4,11,15H,5-10H2,1-2H3,(H,14,16)
InChIKeyDOXWPOBMEXSRSS-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-[3-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2,2-dimethylpropyl]cyclohex-3-ene-1-carboxamide
CID 95621362
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
CID 103772539
(1S)-N-[(2S)-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986212
(1R)-N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 25474228
(2R)-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147826
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 111335363
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989
(1R)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 27742839
(1S)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]cyclohex-3-ene-1-carboxamide
CID 95986113
N-[2-(3-hydroxypropylsulfanyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 103767491
3-(cyclopent-3-ene-1-carbonylamino)-2,2-dimethylpropanoic acid
CID 81369711

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide (CID 103772445) is N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide is CC(C)(CCO)CNC(=O)C1CC=CCC1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is DOXWPOBMEXSRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(2,8-9-15)10-14-12(16)11-6-4-3-5-7-11/h3-4,11,15H,5-10H2,1-2H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 225.33 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 103772445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).