5-phenylpentyl N-cyclohexylcarbamate

C18H27NO2 — CID 10913246

IUPAC5-phenylpentyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCCCCCc1ccccc1
InChIInChI=1S/C18H27NO2/c20-18(19-17-13-7-2-8-14-17)21-15-9-3-6-12-16-10-4-1-5-11-16/h1,4-5,10-11,17H,2-3,6-9,12-15H2,(H,19,20)
InChIKeyIGGTVXYIQRVVOP-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.46
Rot. Bonds7

About 5-phenylpentyl N-cyclohexylcarbamate

5-phenylpentyl N-cyclohexylcarbamate (PubChem CID 10913246) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-phenylpentyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name5-phenylpentyl N-cyclohexylcarbamate
PubChem CID10913246
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name5-phenylpentyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCCCCCc1ccccc1
InChIInChI=1S/C18H27NO2/c20-18(19-17-13-7-2-8-14-17)21-15-9-3-6-12-16-10-4-1-5-11-16/h1,4-5,10-11,17H,2-3,6-9,12-15H2,(H,19,20)
InChIKeyIGGTVXYIQRVVOP-UHFFFAOYSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenylpentyl N-cyclohexylcarbamate?
The IUPAC name of 5-phenylpentyl N-cyclohexylcarbamate (CID 10913246) is 5-phenylpentyl N-cyclohexylcarbamate.
What is the SMILES notation for 5-phenylpentyl N-cyclohexylcarbamate?
The canonical SMILES for 5-phenylpentyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OCCCCCc1ccccc1.
What is the InChIKey of 5-phenylpentyl N-cyclohexylcarbamate?
The InChIKey is IGGTVXYIQRVVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c20-18(19-17-13-7-2-8-14-17)21-15-9-3-6-12-16-10-4-1-5-11-16/h1,4-5,10-11,17H,2-3,6-9,12-15H2,(H,19,20).
What are the key properties of 5-phenylpentyl N-cyclohexylcarbamate?
5-phenylpentyl N-cyclohexylcarbamate has a molecular weight of 289.42 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentyl N-cyclohexylcarbamate is sourced from PubChem (CID 10913246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).