tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate

C16H31NO3 — CID 90745543

IUPACtert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate
SMILESCCN(CCC1CCC(C)(O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-6-17(14(18)20-15(2,3)4)12-9-13-7-10-16(5,19)11-8-13/h13,19H,6-12H2,1-5H3
InChIKeyGRWGNWFBKYVTLW-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.57
Rot. Bonds4

About tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate

tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate (PubChem CID 90745543) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate
PubChem CID90745543
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate
SMILESCCN(CCC1CCC(C)(O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-6-17(14(18)20-15(2,3)4)12-9-13-7-10-16(5,19)11-8-13/h13,19H,6-12H2,1-5H3
InChIKeyGRWGNWFBKYVTLW-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 9-(fluoromethyl)-9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate
CID 155893420
tert-Butyl 9-(difluoromethyl)-9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate
CID 155894628
Tert-butyl 4-(2-hydroxy-2-propylpentyl)piperidine-1-carboxylate
CID 18423454
Tert-butyl 4-(2-hydroxy-2-methylpentyl)piperidine-1-carboxylate
CID 18423470
Tert-butyl 4-cyclohexyl-4-hydroxypiperidine-1-carboxylate
CID 22492872
trans-[2-(4-Hydroxymethyl-cyclohexyl)-ethyl]-methyl-carbamic acid tert-butyl ester
CID 23395983
tert-butyl 4-[(3R)-heptan-3-yl]-4-hydroxypiperidine-1-carboxylate
CID 57973917
Tert-butyl-3-(cyclohexylmethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 59411493
tert-butyl N-[2-[4-(4-hydroxybutyl)cyclohexyl]ethyl]-N-methylcarbamate
CID 60056076
trans-{2-[4-(3-Hydroxy-propyl)-cyclohexyl]-ethyl}-methyl-carbamic acid tert-butyl ester
CID 60056093
Tert-butyl-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamic acid
CID 66725504
Tert-butyl 4-hydroxy-4-pentylpiperidine-1-carboxylate
CID 69210484

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate (CID 90745543) is tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate is CCN(CCC1CCC(C)(O)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate?
The InChIKey is GRWGNWFBKYVTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-6-17(14(18)20-15(2,3)4)12-9-13-7-10-16(5,19)11-8-13/h13,19H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate?
tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate has a molecular weight of 285.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate is sourced from PubChem (CID 90745543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).