[3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate

C20H22N2O3 — CID 87277524

IUPAC[3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate
SMILESO=CNc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C20H22N2O3/c23-14-21-18-10-4-6-15(12-18)16-7-5-11-19(13-16)25-20(24)22-17-8-2-1-3-9-17/h4-7,10-14,17H,1-3,8-9H2,(H,21,23)(H,22,24)
InChIKeyYPOSKDCIJSPIHR-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.34
Rot. Bonds5

About [3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate

[3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate (PubChem CID 87277524) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate
PubChem CID87277524
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate
SMILESO=CNc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C20H22N2O3/c23-14-21-18-10-4-6-15(12-18)16-7-5-11-19(13-16)25-20(24)22-17-8-2-1-3-9-17/h4-7,10-14,17H,1-3,8-9H2,(H,21,23)(H,22,24)
InChIKeyYPOSKDCIJSPIHR-UHFFFAOYSA-N
XLogP4.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674
[3-[3-(2-hydroxyethyl)phenyl]phenyl] N-cyclohexylcarbamate
CID 11405051
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
methyl 2-[4-[3-(cyclohexylcarbamoyloxy)phenyl]-3-fluorophenyl]propanoate
CID 90036113
[3-(3-carbamoylphenyl)-4-(dihydroxymethyl)phenyl] N-cyclohexylcarbamate
CID 126735819
[3-(cycloheptylcarbamoylamino)phenyl] acetate
CID 108865301
[3-(cyclododecylcarbamoylamino)phenyl] acetate
CID 108865173
[3-(phenylmethoxycarbonylamino)phenyl] N-cyclopropylcarbamate
CID 174753311

Frequently Asked Questions

What is the IUPAC name of [3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate (CID 87277524) is [3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate is O=CNc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of [3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate?
The InChIKey is YPOSKDCIJSPIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-14-21-18-10-4-6-15(12-18)16-7-5-11-19(13-16)25-20(24)22-17-8-2-1-3-9-17/h4-7,10-14,17H,1-3,8-9H2,(H,21,23)(H,22,24).
What are the key properties of [3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate?
[3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate has a molecular weight of 338.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 87277524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).