tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate

C16H31NO3 — CID 174542178

IUPACtert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
SMILESCCC(C)(O)CN(C(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H31NO3/c1-6-16(5,19)12-17(13-10-8-7-9-11-13)14(18)20-15(2,3)4/h13,19H,6-12H2,1-5H3
InChIKeyCDEURKFJEBAYMD-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.72
Rot. Bonds4

About tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate

tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate (PubChem CID 174542178) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
PubChem CID174542178
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate
SMILESCCC(C)(O)CN(C(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H31NO3/c1-6-16(5,19)12-17(13-10-8-7-9-11-13)14(18)20-15(2,3)4/h13,19H,6-12H2,1-5H3
InChIKeyCDEURKFJEBAYMD-UHFFFAOYSA-N
XLogP3.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)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

2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate
CID 107251904
tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
CID 135248450
tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
CID 23506980
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-cyclopentyl-N-(2-oxobut-3-ynyl)carbamate
CID 165471358
tert-butyl N-(azepan-3-yl)-N-(2,2,2-trifluoroethyl)carbamate
CID 141103196
tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 177239965
4-[[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166513792

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate?
The IUPAC name of tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate (CID 174542178) is tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate.
What is the SMILES notation for tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate?
The canonical SMILES for tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate is CCC(C)(O)CN(C(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate?
The InChIKey is CDEURKFJEBAYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-6-16(5,19)12-17(13-10-8-7-9-11-13)14(18)20-15(2,3)4/h13,19H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate?
tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate has a molecular weight of 285.43 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexyl-N-(2-hydroxy-2-methylbutyl)carbamate is sourced from PubChem (CID 174542178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).