4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide

C18H35NO2 — CID 103899307

IUPAC4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC(C)(C)CCCO)CC1
InChIInChI=1S/C18H35NO2/c1-4-5-7-15-8-10-16(11-9-15)17(21)19-14-18(2,3)12-6-13-20/h15-16,20H,4-14H2,1-3H3,(H,19,21)
InChIKeyBAZBBIPIACFIBS-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.90
Rot. Bonds9

About 4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide

4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide (PubChem CID 103899307) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
PubChem CID103899307
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NCC(C)(C)CCCO)CC1
InChIInChI=1S/C18H35NO2/c1-4-5-7-15-8-10-16(11-9-15)17(21)19-14-18(2,3)12-6-13-20/h15-16,20H,4-14H2,1-3H3,(H,19,21)
InChIKeyBAZBBIPIACFIBS-UHFFFAOYSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide
CID 114149740
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
N-(4-hydroxy-2,2-dimethylbutyl)cyclohexanecarboxamide
CID 103772539
4-butylcyclohexane-1-carbohydrazide
CID 2063620
4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide
CID 81429367
4,4-dimethylpentan-1-ol;N-ethylcyclopropanecarboxamide;propane
CID 161174524
N-[(3-aminocyclobutyl)methyl]-4-butylcyclohexane-1-carboxamide
CID 66004520
2-(cyclopropylmethylamino)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148251
N-(2-amino-3-hydroxybutyl)-4-butylcyclohexane-1-carboxamide
CID 64542116

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide (CID 103899307) is 4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NCC(C)(C)CCCO)CC1.
What is the InChIKey of 4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide?
The InChIKey is BAZBBIPIACFIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-4-5-7-15-8-10-16(11-9-15)17(21)19-14-18(2,3)12-6-13-20/h15-16,20H,4-14H2,1-3H3,(H,19,21).
What are the key properties of 4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide?
4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide has a molecular weight of 297.48 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103899307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).