[3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate

C18H21N3O3 — CID 46916517

IUPAC[3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1ccn(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C18H21N3O3/c19-17(22)13-9-10-21(12-13)15-7-4-8-16(11-15)24-18(23)20-14-5-2-1-3-6-14/h4,7-12,14H,1-3,5-6H2,(H2,19,22)(H,20,23)
InChIKeyZHICKMPQTZIMJO-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.00
Rot. Bonds4

About [3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate

[3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate (PubChem CID 46916517) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate
PubChem CID46916517
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate
SMILESNC(=O)c1ccn(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C18H21N3O3/c19-17(22)13-9-10-21(12-13)15-7-4-8-16(11-15)24-18(23)20-14-5-2-1-3-6-14/h4,7-12,14H,1-3,5-6H2,(H2,19,22)(H,20,23)
InChIKeyZHICKMPQTZIMJO-UHFFFAOYSA-N
XLogP3.00
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate (CID 46916517) is [3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate is NC(=O)c1ccn(-c2cccc(OC(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of [3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate?
The InChIKey is ZHICKMPQTZIMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c19-17(22)13-9-10-21(12-13)15-7-4-8-16(11-15)24-18(23)20-14-5-2-1-3-6-14/h4,7-12,14H,1-3,5-6H2,(H2,19,22)(H,20,23).
What are the key properties of [3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate?
[3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate has a molecular weight of 327.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbamoylpyrrol-1-yl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 46916517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).