[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate

C17H31NO2 — CID 59044268

IUPAC[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)NC1CCCCC1
InChIInChI=1S/C17H31NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h12-16H,4-11H2,1-3H3,(H,18,19)/t13-,15+,16?/m1/s1
InChIKeyPDDIETGPTXAEPC-YISXUXMPSA-N
MW281.44 g/mol
LogP4.51
Rot. Bonds3

About [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate

[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate (PubChem CID 59044268) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
PubChem CID59044268
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)NC1CCCCC1
InChIInChI=1S/C17H31NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h12-16H,4-11H2,1-3H3,(H,18,19)/t13-,15+,16?/m1/s1
InChIKeyPDDIETGPTXAEPC-YISXUXMPSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-2-(propan-2-yl)cyclohexyl cyclohexylcarbamate
CID 22978781
4-cyclohexylbutyl N-cyclohexylcarbamate
CID 22978793
Cyclohexyl carbamate derivative 7
CID 46898982
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
CID 51682697
Carbonic acid, monoamide, N-ethyl-, menthyl ester
CID 10013977
Carbonic acid, monoamide, N-butyl-, menthyl ester
CID 10244099
Carbonic acid, monoamide, N-isobutyl-, menthyl ester
CID 10244100
Carbonic acid, monoamide, N-hexyl-, menthyl ester
CID 46893857
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate
CID 10967142
(5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate
CID 67760944
Carbonic acid, monoamide, N-propyl-, menthyl ester
CID 10444379
Carbonic acid, monoamide, N-pentyl-, menthyl ester
CID 21064464

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate?
The IUPAC name of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate (CID 59044268) is [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate.
What is the SMILES notation for [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate?
The canonical SMILES for [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate is CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)NC1CCCCC1.
What is the InChIKey of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate?
The InChIKey is PDDIETGPTXAEPC-YISXUXMPSA-N. The full InChI is InChI=1S/C17H31NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h12-16H,4-11H2,1-3H3,(H,18,19)/t13-,15+,16?/m1/s1.
What are the key properties of [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate?
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate has a molecular weight of 281.44 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate is sourced from PubChem (CID 59044268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).