[(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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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).