[3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate

C21H25NO3 — CID 11405051

IUPAC[3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cccc(-c2cccc(CCO)c2)c1
InChIInChI=1S/C21H25NO3/c23-13-12-16-6-4-7-17(14-16)18-8-5-11-20(15-18)25-21(24)22-19-9-2-1-3-10-19/h4-8,11,14-15,19,23H,1-3,9-10,12-13H2,(H,22,24)
InChIKeyFFJWEZWZGHOELT-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.31
Rot. Bonds5

About [3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate

[3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate (PubChem CID 11405051) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate
PubChem CID11405051
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cccc(-c2cccc(CCO)c2)c1
InChIInChI=1S/C21H25NO3/c23-13-12-16-6-4-7-17(14-16)18-8-5-11-20(15-18)25-21(24)22-19-9-2-1-3-10-19/h4-8,11,14-15,19,23H,1-3,9-10,12-13H2,(H,22,24)
InChIKeyFFJWEZWZGHOELT-UHFFFAOYSA-N
XLogP4.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674
[3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate
CID 87277524
phenyl N-cyclooctylcarbamate
CID 60636968
[3-(1,3-oxazol-4-yl)phenyl] N-cyclohexylcarbamate
CID 69173921
phenyl N-cyclopentylcarbamate
CID 12791466
2-[3-(cyclohexylcarbamoyloxy)phenyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 69173922
[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] N-cyclohexylcarbamate
CID 69174143
N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
N-cyclohexyl-2-[3-(hydroxymethyl)phenoxy]acetamide
CID 28562082
methyl 2-[4-[3-(cyclohexylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoate
CID 90036113
(6-ethylnaphthalen-2-yl) N-cyclohexylcarbamate
CID 11098519
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate (CID 11405051) is [3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1cccc(-c2cccc(CCO)c2)c1.
What is the InChIKey of [3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate?
The InChIKey is FFJWEZWZGHOELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c23-13-12-16-6-4-7-17(14-16)18-8-5-11-20(15-18)25-21(24)22-19-9-2-1-3-10-19/h4-8,11,14-15,19,23H,1-3,9-10,12-13H2,(H,22,24).
What are the key properties of [3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate?
[3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate has a molecular weight of 339.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 11405051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).