(4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate

C16H31NO3 — CID 163270059

IUPAC(4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate
SMILESCC1(C)CC(NC(=O)OC(C)(C)CCO)CC(C)(C)C1
InChIInChI=1S/C16H31NO3/c1-14(2)9-12(10-15(3,4)11-14)17-13(19)20-16(5,6)7-8-18/h12,18H,7-11H2,1-6H3,(H,17,19)
InChIKeyILBGRGTVZQULJF-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.48
Rot. Bonds4

About (4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate

(4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate (PubChem CID 163270059) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is (4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate.

Molecular Properties

Compound Name(4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate
PubChem CID163270059
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name(4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate
SMILESCC1(C)CC(NC(=O)OC(C)(C)CCO)CC(C)(C)C1
InChIInChI=1S/C16H31NO3/c1-14(2)9-12(10-15(3,4)11-14)17-13(19)20-16(5,6)7-8-18/h12,18H,7-11H2,1-6H3,(H,17,19)
InChIKeyILBGRGTVZQULJF-UHFFFAOYSA-N
XLogP3.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 90701493
3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
CID 103966047
tert-butyl N-(3,3-dimethyl-5-oxocyclohexyl)carbamate
CID 122163856
2-hydroxyethyl N-[3-[(2-hydroxyethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 122370708
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
3-amino-2,2-dimethyl-3-sulfanylidene-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
CID 103966862
2-methylbutan-2-yl N-piperidin-4-ylcarbamate
CID 67158317
3-oxo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103968332
tert-butyl N-[(1R,5S)-5-hydroxy-3,3-dimethylcyclohexyl]carbamate
CID 90020389
3-amino-4,4-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103966637
ethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate
CID 177172278
2-methyl-2-[[3,3,5-trimethyl-5-[(2-methylpropanoylamino)methyl]cyclohexyl]carbamoyloxy]butanoic acid
CID 129206549

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate?
The IUPAC name of (4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate (CID 163270059) is (4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate.
What is the SMILES notation for (4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate?
The canonical SMILES for (4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate is CC1(C)CC(NC(=O)OC(C)(C)CCO)CC(C)(C)C1.
What is the InChIKey of (4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate?
The InChIKey is ILBGRGTVZQULJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-14(2)9-12(10-15(3,4)11-14)17-13(19)20-16(5,6)7-8-18/h12,18H,7-11H2,1-6H3,(H,17,19).
What are the key properties of (4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate?
(4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate has a molecular weight of 285.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methylbutan-2-yl) N-(3,3,5,5-tetramethylcyclohexyl)carbamate is sourced from PubChem (CID 163270059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).