[3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate

C19H22N2O4 — CID 46916562

IUPAC[3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate
SMILESCc1oc(-c2cccc(OC(=O)NC3CCCCC3)c2)cc1C(N)=O
InChIInChI=1S/C19H22N2O4/c1-12-16(18(20)22)11-17(24-12)13-6-5-9-15(10-13)25-19(23)21-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H2,20,22)(H,21,23)
InChIKeyWKJYERYYVJOQBD-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.78
Rot. Bonds4

About [3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate

[3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate (PubChem CID 46916562) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate
PubChem CID46916562
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate
SMILESCc1oc(-c2cccc(OC(=O)NC3CCCCC3)c2)cc1C(N)=O
InChIInChI=1S/C19H22N2O4/c1-12-16(18(20)22)11-17(24-12)13-6-5-9-15(10-13)25-19(23)21-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H2,20,22)(H,21,23)
InChIKeyWKJYERYYVJOQBD-UHFFFAOYSA-N
XLogP3.78
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate (CID 46916562) is [3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate is Cc1oc(-c2cccc(OC(=O)NC3CCCCC3)c2)cc1C(N)=O.
What is the InChIKey of [3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate?
The InChIKey is WKJYERYYVJOQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-16(18(20)22)11-17(24-12)13-6-5-9-15(10-13)25-19(23)21-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of [3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate?
[3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate has a molecular weight of 342.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 46916562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).