N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide

C16H31NO2 — CID 107299247

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(C)(CCCO)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H31NO2/c1-15(2,9-7-11-18)12-17-14(19)13-8-5-6-10-16(13,3)4/h13,18H,5-12H2,1-4H3,(H,17,19)
InChIKeyBCDNDNXDNGLNCJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.12
Rot. Bonds6

About N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide

N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107299247) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107299247
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(C)(CCCO)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C16H31NO2/c1-15(2,9-7-11-18)12-17-14(19)13-8-5-6-10-16(13,3)4/h13,18H,5-12H2,1-4H3,(H,17,19)
InChIKeyBCDNDNXDNGLNCJ-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920590
N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 114148900
N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178617
N-(2,3-dihydroxy-2-methylpropyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107180415
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
2-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]-2-ethylbutanoic acid
CID 107175829
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
CID 107178834
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 114008358
N-(2-amino-2-ethylbutyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107181003
N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180430
N-(4-hydroxy-2,2-dimethylbutyl)cyclopentanecarboxamide
CID 103772299
N-(1,3-dichloro-2-methylpropan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184249

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107299247) is N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide is CC(C)(CCCO)CNC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is BCDNDNXDNGLNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-15(2,9-7-11-18)12-17-14(19)13-8-5-6-10-16(13,3)4/h13,18H,5-12H2,1-4H3,(H,17,19).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107299247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).