tert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate

C17H33NO3 — CID 91195816

IUPACtert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate
SMILESCCN(CCC1(C)CCC(C)(O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO3/c1-7-18(14(19)21-15(2,3)4)13-12-16(5)8-10-17(6,20)11-9-16/h20H,7-13H2,1-6H3
InChIKeyBYOIJYDZVJZISP-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.96
Rot. Bonds4

About tert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate

tert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate (PubChem CID 91195816) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate
PubChem CID91195816
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Nametert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate
SMILESCCN(CCC1(C)CCC(C)(O)CC1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO3/c1-7-18(14(19)21-15(2,3)4)13-12-16(5)8-10-17(6,20)11-9-16/h20H,7-13H2,1-6H3
InChIKeyBYOIJYDZVJZISP-UHFFFAOYSA-N
XLogP3.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 9-hydroxy-3-azaspiro[5.5]undecane-3-carboxylate
CID 66701044
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-cyclohexyl-4-(3-hydroxy-3-methylbutyl)piperidine-1-carboxylate
CID 23388699
Tert-butyl 4-(2-hydroxy-2,6,6-trimethylheptan-4-yl)piperidine-1-carboxylate
CID 57938997
trans-{2-[4-(3-Hydroxy-propyl)-cyclohexyl]-ethyl}-methyl-carbamic acid tert-butyl ester
CID 60056093
tert-butyl N-ethyl-N-[2-(4-hydroxy-4-methylcyclohexyl)ethyl]carbamate
CID 90745543
tert-butyl N-ethyl-N-[2-(1-ethyl-4-methylcyclohexyl)ethyl]carbamate
CID 91163380
Tert-butyl 3-(4-hydroxy-1,4-dimethylcyclohexyl)pyrrolidine-1-carboxylate
CID 91287576
Tert-butyl 9-(2-hydroxyethyl)-3-azaspiro[5.5]undecane-3-carboxylate
CID 118387777
Tert-butyl 6-hydroxy-6-methyl-azacyclododecane-1-carboxylate
CID 139299170
Tert-butyl 6-hydroxy-6-methyl-azacyclotridecane-1-carboxylate
CID 139302093

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate (CID 91195816) is tert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate is CCN(CCC1(C)CCC(C)(O)CC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate?
The InChIKey is BYOIJYDZVJZISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-7-18(14(19)21-15(2,3)4)13-12-16(5)8-10-17(6,20)11-9-16/h20H,7-13H2,1-6H3.
What are the key properties of tert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate?
tert-butyl N-ethyl-N-[2-(4-hydroxy-1,4-dimethylcyclohexyl)ethyl]carbamate has a molecular weight of 299.45 g/mol, XLogP of 3.96, 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-1,4-dimethylcyclohexyl)ethyl]carbamate is sourced from PubChem (CID 91195816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).