phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate

C20H22N2O4 — CID 11405536

IUPACphenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate
SMILESO=C(N[C@H]1CCCC[C@@H]1NC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H22N2O4/c23-19(25-15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)22-20(24)26-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,21,23)(H,22,24)/t17-,18-/m0/s1
InChIKeyGEBKHOSCXBTSOI-ROUUACIJSA-N
MW354.41 g/mol
LogP3.87
Rot. Bonds4

About phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate

phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate (PubChem CID 11405536) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate
PubChem CID11405536
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namephenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate
SMILESO=C(N[C@H]1CCCC[C@@H]1NC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H22N2O4/c23-19(25-15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)22-20(24)26-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,21,23)(H,22,24)/t17-,18-/m0/s1
InChIKeyGEBKHOSCXBTSOI-ROUUACIJSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate?
The IUPAC name of phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate (CID 11405536) is phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate.
What is the SMILES notation for phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate?
The canonical SMILES for phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate is O=C(N[C@H]1CCCC[C@@H]1NC(=O)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate?
The InChIKey is GEBKHOSCXBTSOI-ROUUACIJSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(25-15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)22-20(24)26-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2,(H,21,23)(H,22,24)/t17-,18-/m0/s1.
What are the key properties of phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate?
phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate has a molecular weight of 354.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1S,2S)-2-(phenoxycarbonylamino)cyclohexyl]carbamate is sourced from PubChem (CID 11405536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).