N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide

C14H27NO2 — CID 107180427

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(C)C(CO)NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H27NO2/c1-10(2)12(9-16)15-13(17)11-7-5-6-8-14(11,3)4/h10-12,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyOSFRWNKGGMYCAY-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.34
Rot. Bonds4

About N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107180427) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107180427
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
SMILESCC(C)C(CO)NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H27NO2/c1-10(2)12(9-16)15-13(17)11-7-5-6-8-14(11,3)4/h10-12,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyOSFRWNKGGMYCAY-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-iodo-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107859802
N-(1-bromo-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107184210
(2R)-2-[(2,2-dimethylcyclohexanecarbonyl)amino]propanoic acid
CID 107175360
N-(4-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920362
2,2-dimethyl-N-(3-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 107178837
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopentanecarboxamide
CID 79247248
N-(4-aminopentan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184708
(2S)-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
CID 107175295
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107182713
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide
CID 114084217
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 114008358

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide (CID 107180427) is N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide is CC(C)C(CO)NC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is OSFRWNKGGMYCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(2)12(9-16)15-13(17)11-7-5-6-8-14(11,3)4/h10-12,16H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 241.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107180427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).