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

C17H31NO2 — CID 54670369

IUPAC[(2R,5S)-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?/m0/s1
InChIKeyPDDIETGPTXAEPC-GVJPCGBOSA-N
MW281.44 g/mol
LogP4.51
Rot. Bonds3

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

[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate (PubChem CID 54670369) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is [(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
PubChem CID54670369
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name[(2R,5S)-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?/m0/s1
InChIKeyPDDIETGPTXAEPC-GVJPCGBOSA-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

[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131
(5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate
CID 121007431
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
1-O-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,3S)-2,3-dihydroxybutanedioate
CID 11887456
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-hydroxyethyl)carbamate
CID 46893858
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanedioate
CID 101364051
methane;(5-methyl-2-propan-2-ylcyclohexyl) acetate
CID 157342153
cis-2-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2S)-cyclopropane-1,2-dicarboxylate
CID 129460596
[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-(2,2,2-trifluoroacetyl)carbamate
CID 42335800
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-butylcarbamate
CID 58534266

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate?
The IUPAC name of [(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate (CID 54670369) is [(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate.
What is the SMILES notation for [(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate?
The canonical SMILES for [(2R,5S)-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 [(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate?
The InChIKey is PDDIETGPTXAEPC-GVJPCGBOSA-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?/m0/s1.
What are the key properties of [(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate?
[(2R,5S)-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 [(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate is sourced from PubChem (CID 54670369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).