[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate

C18H33NO2 — CID 58534580

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCC1CCCCC1
InChIInChI=1S/C18H33NO2/c1-13(2)16-10-9-14(3)11-17(16)21-18(20)19-12-15-7-5-4-6-8-15/h13-17H,4-12H2,1-3H3,(H,19,20)/t14-,16+,17-/m1/s1
InChIKeyITIWTTIRHYXENW-HYVNUMGLSA-N
MW295.47 g/mol
LogP4.75
Rot. Bonds4

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate (PubChem CID 58534580) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate
PubChem CID58534580
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCC1CCCCC1
InChIInChI=1S/C18H33NO2/c1-13(2)16-10-9-14(3)11-17(16)21-18(20)19-12-15-7-5-4-6-8-15/h13-17H,4-12H2,1-3H3,(H,19,20)/t14-,16+,17-/m1/s1
InChIKeyITIWTTIRHYXENW-HYVNUMGLSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate (CID 58534580) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCC1CCCCC1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate?
The InChIKey is ITIWTTIRHYXENW-HYVNUMGLSA-N. The full InChI is InChI=1S/C18H33NO2/c1-13(2)16-10-9-14(3)11-17(16)21-18(20)19-12-15-7-5-4-6-8-15/h13-17H,4-12H2,1-3H3,(H,19,20)/t14-,16+,17-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate has a molecular weight of 295.47 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(cyclohexylmethyl)carbamate is sourced from PubChem (CID 58534580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).