N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide

C12H21NO3 — CID 58356146

IUPACN-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide
SMILESCC(=O)C1CCC(NC(=O)C(C)(C)O)CC1
InChIInChI=1S/C12H21NO3/c1-8(14)9-4-6-10(7-5-9)13-11(15)12(2,3)16/h9-10,16H,4-7H2,1-3H3,(H,13,15)
InChIKeyBCROATGZJXPSFZ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.02
Rot. Bonds3

About N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide

N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide (PubChem CID 58356146) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide
PubChem CID58356146
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC NameN-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide
SMILESCC(=O)C1CCC(NC(=O)C(C)(C)O)CC1
InChIInChI=1S/C12H21NO3/c1-8(14)9-4-6-10(7-5-9)13-11(15)12(2,3)16/h9-10,16H,4-7H2,1-3H3,(H,13,15)
InChIKeyBCROATGZJXPSFZ-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide
CID 58356113
N-(4-ethylcyclohexyl)-2-hydroxy-2-methylpropanamide
CID 103429662
2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
1-(4-acetylcyclohexyl)-3-methylurea
CID 58664366
N-(4-acetylcyclohexyl)-4,4-difluorocyclohexane-1-carboxamide
CID 58356090
N-cyclobutyl-2,2-dimethylpropanamide
CID 21051515
4-acetyl-N-(4-tert-butyl-4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 122679814
cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid
CID 114173491
4-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 79805526
2-(cyclopropylcarbamoyl)-4-hydroxy-2,4-dimethylpentanoic acid
CID 114900486
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-hydroxy-2-methylpropanamide
CID 99834501
methyl N-(3-acetylcyclopentyl)carbamate
CID 77342525

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide (CID 58356146) is N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide is CC(=O)C1CCC(NC(=O)C(C)(C)O)CC1.
What is the InChIKey of N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is BCROATGZJXPSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(14)9-4-6-10(7-5-9)13-11(15)12(2,3)16/h9-10,16H,4-7H2,1-3H3,(H,13,15).
What are the key properties of N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide?
N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 227.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylcyclohexyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 58356146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).