(4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate

C20H23NO3 — CID 54188372

IUPAC(4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc(Oc2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C20H23NO3/c1-21(16-8-4-2-5-9-16)20(22)24-19-14-12-18(13-15-19)23-17-10-6-3-7-11-17/h3,6-7,10-16H,2,4-5,8-9H2,1H3
InChIKeyPGSUZVFFYDPAOJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.24
Rot. Bonds4

About (4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate

(4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate (PubChem CID 54188372) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate.

Molecular Properties

Compound Name(4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate
PubChem CID54188372
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate
SMILESCN(C(=O)Oc1ccc(Oc2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C20H23NO3/c1-21(16-8-4-2-5-9-16)20(22)24-19-14-12-18(13-15-19)23-17-10-6-3-7-11-17/h3,6-7,10-16H,2,4-5,8-9H2,1H3
InChIKeyPGSUZVFFYDPAOJ-UHFFFAOYSA-N
XLogP5.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate?
The IUPAC name of (4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate (CID 54188372) is (4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate.
What is the SMILES notation for (4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate?
The canonical SMILES for (4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate is CN(C(=O)Oc1ccc(Oc2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of (4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate?
The InChIKey is PGSUZVFFYDPAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21(16-8-4-2-5-9-16)20(22)24-19-14-12-18(13-15-19)23-17-10-6-3-7-11-17/h3,6-7,10-16H,2,4-5,8-9H2,1H3.
What are the key properties of (4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate?
(4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate has a molecular weight of 325.41 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl) N-cyclohexyl-N-methylcarbamate is sourced from PubChem (CID 54188372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).