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

C17H25NO2 — CID 58614609

IUPAC[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate
SMILESCC1CC[C@@H](C(C)C)[C@H](OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19)/t13?,15-,16+/m0/s1
InChIKeyHDPFJNHRRLYGLW-PXWJKWRZSA-N
MW275.39 g/mol
LogP4.70
Rot. Bonds3

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

[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate (PubChem CID 58614609) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate
PubChem CID58614609
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate
SMILESCC1CC[C@@H](C(C)C)[C@H](OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19)/t13?,15-,16+/m0/s1
InChIKeyHDPFJNHRRLYGLW-PXWJKWRZSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate?
The IUPAC name of [(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate (CID 58614609) is [(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate.
What is the SMILES notation for [(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate?
The canonical SMILES for [(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate is CC1CC[C@@H](C(C)C)[C@H](OC(=O)Nc2ccccc2)C1.
What is the InChIKey of [(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate?
The InChIKey is HDPFJNHRRLYGLW-PXWJKWRZSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)15-10-9-13(3)11-16(15)20-17(19)18-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,18,19)/t13?,15-,16+/m0/s1.
What are the key properties of [(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate?
[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate has a molecular weight of 275.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] N-phenylcarbamate is sourced from PubChem (CID 58614609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).