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

C16H29NO3 — CID 46892726

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCC1CCCO1
InChIInChI=1S/C16H29NO3/c1-11(2)14-7-6-12(3)9-15(14)20-16(18)17-10-13-5-4-8-19-13/h11-15H,4-10H2,1-3H3,(H,17,18)/t12-,13?,14+,15-/m1/s1
InChIKeyGHCDTIJXCVROJG-FSJTYKKLSA-N
MW283.41 g/mol
LogP3.35
Rot. Bonds4

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

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate (PubChem CID 46892726) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate
PubChem CID46892726
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCC1CCCO1
InChIInChI=1S/C16H29NO3/c1-11(2)14-7-6-12(3)9-15(14)20-16(18)17-10-13-5-4-8-19-13/h11-15H,4-10H2,1-3H3,(H,17,18)/t12-,13?,14+,15-/m1/s1
InChIKeyGHCDTIJXCVROJG-FSJTYKKLSA-N
XLogP3.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-2-propan-2-ylcyclohexyl) N-(oxolan-2-ylmethyl)carbamate
CID 46892051
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-(2-hydroxyethyl)carbamate
CID 46893858
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-pentylcarbamate
CID 58715353
(5-methyl-2-propan-2-ylcyclohexyl) N-octylcarbamate
CID 91726626
[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
CID 54670369
(5-methyl-2-propan-2-ylcyclohexyl) N-carbamoylcarbamate
CID 121007431
1-O-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 124925356
(5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate
CID 25196076
[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-hydroxyacetate
CID 39870900
[(1S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138995
[(2S)-5-methyl-2-propan-2-ylcyclohexyl] 2-methylpropanoate
CID 90138993
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate (CID 46892726) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)NCC1CCCO1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate?
The InChIKey is GHCDTIJXCVROJG-FSJTYKKLSA-N. The full InChI is InChI=1S/C16H29NO3/c1-11(2)14-7-6-12(3)9-15(14)20-16(18)17-10-13-5-4-8-19-13/h11-15H,4-10H2,1-3H3,(H,17,18)/t12-,13?,14+,15-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate has a molecular weight of 283.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-(oxolan-2-ylmethyl)carbamate is sourced from PubChem (CID 46892726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).