[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate

C20H22N2O4 — CID 139079563

IUPAC[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H22N2O4/c23-19(21-15-8-3-1-4-9-15)25-17-12-7-13-18(14-17)26-20(24)22-16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,21,23)(H,22,24)/t17-,18+
InChIKeyPCKYZSUVXNCHSI-HDICACEKSA-N
MW354.41 g/mol
LogP4.80
Rot. Bonds4

About [(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate

[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate (PubChem CID 139079563) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
PubChem CID139079563
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)O[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1
InChIInChI=1S/C20H22N2O4/c23-19(21-15-8-3-1-4-9-15)25-17-12-7-13-18(14-17)26-20(24)22-16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,21,23)(H,22,24)/t17-,18+
InChIKeyPCKYZSUVXNCHSI-HDICACEKSA-N
XLogP4.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3Z)-cyclooct-3-en-1-yl] N-phenylcarbamate
CID 5381423
[(1S,4R,8R)-9-oxabicyclo[6.1.0]nonan-4-yl] N-phenylcarbamate
CID 94036960
[(1S,3R)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985836
[(1R,3S)-3-(dimethylsulfamoylamino)cyclohexyl] N-phenylcarbamate
CID 95985839
[(1S,3S)-3-(3-phenylpropanoylamino)cyclohexyl] N-phenylcarbamate
CID 95985789
(4-oxocyclohexyl) N-phenylcarbamate
CID 5238930
(3,5-dimethylcyclohexyl) N-phenylcarbamate
CID 58534443
[(1S)-cyclohex-2-en-1-yl] N-phenylcarbamate
CID 101414086
[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
CID 95985787
oxetan-3-yl N-phenylcarbamate
CID 54313632
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
[(2Z)-cyclooct-2-en-1-yl] N-phenylcarbamate
CID 141355381

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate?
The IUPAC name of [(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate (CID 139079563) is [(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate.
What is the SMILES notation for [(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate?
The canonical SMILES for [(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate is O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1.
What is the InChIKey of [(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate?
The InChIKey is PCKYZSUVXNCHSI-HDICACEKSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(21-15-8-3-1-4-9-15)25-17-12-7-13-18(14-17)26-20(24)22-16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2,(H,21,23)(H,22,24)/t17-,18+.
What are the key properties of [(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate?
[(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate has a molecular weight of 354.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(phenylcarbamoyloxy)cyclohexyl] N-phenylcarbamate is sourced from PubChem (CID 139079563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).