[1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate

C21H21NO3 — CID 154393545

IUPAC[1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1(c2cc3ccccc3o2)CCCCC1
InChIInChI=1S/C21H21NO3/c23-20(22-17-10-3-1-4-11-17)25-21(13-7-2-8-14-21)19-15-16-9-5-6-12-18(16)24-19/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,22,23)
InChIKeyUTOZATOBZYNFOD-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.84
Rot. Bonds3

About [1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate

[1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate (PubChem CID 154393545) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is [1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate.

Molecular Properties

Compound Name[1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate
PubChem CID154393545
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name[1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1(c2cc3ccccc3o2)CCCCC1
InChIInChI=1S/C21H21NO3/c23-20(22-17-10-3-1-4-11-17)25-21(13-7-2-8-14-21)19-15-16-9-5-6-12-18(16)24-19/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,22,23)
InChIKeyUTOZATOBZYNFOD-UHFFFAOYSA-N
XLogP5.84
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate?
The IUPAC name of [1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate (CID 154393545) is [1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate.
What is the SMILES notation for [1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate?
The canonical SMILES for [1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate is O=C(Nc1ccccc1)OC1(c2cc3ccccc3o2)CCCCC1.
What is the InChIKey of [1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate?
The InChIKey is UTOZATOBZYNFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-20(22-17-10-3-1-4-11-17)25-21(13-7-2-8-14-21)19-15-16-9-5-6-12-18(16)24-19/h1,3-6,9-12,15H,2,7-8,13-14H2,(H,22,23).
What are the key properties of [1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate?
[1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate has a molecular weight of 335.40 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzofuran-2-yl)cyclohexyl] N-phenylcarbamate is sourced from PubChem (CID 154393545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).