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

C23H33NO3 — CID 162807999

IUPAC[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate
SMILESCC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)N[C@@H]1C[C@H](c2ccccc2)CCC1=O
InChIInChI=1S/C23H33NO3/c1-15(2)19-11-9-16(3)13-22(19)27-23(26)24-20-14-18(10-12-21(20)25)17-7-5-4-6-8-17/h4-8,15-16,18-20,22H,9-14H2,1-3H3,(H,24,26)/t16-,18+,19-,20+,22-/m0/s1
InChIKeyCBLGISWYJDCLIC-HXUPBZAASA-N
MW371.52 g/mol
LogP5.08
Rot. Bonds4

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

[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate (PubChem CID 162807999) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate.

Molecular Properties

Compound Name[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate
PubChem CID162807999
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate
SMILESCC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)N[C@@H]1C[C@H](c2ccccc2)CCC1=O
InChIInChI=1S/C23H33NO3/c1-15(2)19-11-9-16(3)13-22(19)27-23(26)24-20-14-18(10-12-21(20)25)17-7-5-4-6-8-17/h4-8,15-16,18-20,22H,9-14H2,1-3H3,(H,24,26)/t16-,18+,19-,20+,22-/m0/s1
InChIKeyCBLGISWYJDCLIC-HXUPBZAASA-N
XLogP5.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate with MolForge

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Related Compounds

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (5R)-2-oxo-5-phenylcyclopentane-1-carboxylate
CID 10360034
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-anilinocarbamate
CID 154685218
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 12641355
trans-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,3S)-2,3-diphenylcyclopropane-1-carboxylate
CID 11440296
cis-(5-methyl-2-propan-2-ylcyclohexyl) (1S,2R)-1-deuterio-2-phenyl(313C)cyclopropane-1-carboxylate
CID 101412159
[2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]-triphenylphosphanium
CID 98143975
[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-cyclohexylcarbamate
CID 54670369
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-hydroxy-2-phenylacetate
CID 124836317
(5-methyl-2-propan-2-ylcyclohexyl) 3-phenylprop-2-ynoate
CID 2750811
2-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid
CID 18529176
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate?
The IUPAC name of [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate (CID 162807999) is [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate.
What is the SMILES notation for [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate?
The canonical SMILES for [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate is CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)N[C@@H]1C[C@H](c2ccccc2)CCC1=O.
What is the InChIKey of [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate?
The InChIKey is CBLGISWYJDCLIC-HXUPBZAASA-N. The full InChI is InChI=1S/C23H33NO3/c1-15(2)19-11-9-16(3)13-22(19)27-23(26)24-20-14-18(10-12-21(20)25)17-7-5-4-6-8-17/h4-8,15-16,18-20,22H,9-14H2,1-3H3,(H,24,26)/t16-,18+,19-,20+,22-/m0/s1.
What are the key properties of [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate?
[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate has a molecular weight of 371.52 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,5R)-2-oxo-5-phenylcyclohexyl]carbamate is sourced from PubChem (CID 162807999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).