(3-pentylphenyl) N-cyclohexylcarbamate

C18H27NO2 — CID 11140803

IUPAC(3-pentylphenyl) N-cyclohexylcarbamate
SMILESCCCCCc1cccc(OC(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H27NO2/c1-2-3-5-9-15-10-8-13-17(14-15)21-18(20)19-16-11-6-4-7-12-16/h8,10,13-14,16H,2-7,9,11-12H2,1H3,(H,19,20)
InChIKeyWPPLZHKJDHDISE-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.84
Rot. Bonds6

About (3-pentylphenyl) N-cyclohexylcarbamate

(3-pentylphenyl) N-cyclohexylcarbamate (PubChem CID 11140803) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (3-pentylphenyl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(3-pentylphenyl) N-cyclohexylcarbamate
PubChem CID11140803
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(3-pentylphenyl) N-cyclohexylcarbamate
SMILESCCCCCc1cccc(OC(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H27NO2/c1-2-3-5-9-15-10-8-13-17(14-15)21-18(20)19-16-11-6-4-7-12-16/h8,10,13-14,16H,2-7,9,11-12H2,1H3,(H,19,20)
InChIKeyWPPLZHKJDHDISE-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.84
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 (3-pentylphenyl) N-cyclohexylcarbamate?
The IUPAC name of (3-pentylphenyl) N-cyclohexylcarbamate (CID 11140803) is (3-pentylphenyl) N-cyclohexylcarbamate.
What is the SMILES notation for (3-pentylphenyl) N-cyclohexylcarbamate?
The canonical SMILES for (3-pentylphenyl) N-cyclohexylcarbamate is CCCCCc1cccc(OC(=O)NC2CCCCC2)c1.
What is the InChIKey of (3-pentylphenyl) N-cyclohexylcarbamate?
The InChIKey is WPPLZHKJDHDISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-3-5-9-15-10-8-13-17(14-15)21-18(20)19-16-11-6-4-7-12-16/h8,10,13-14,16H,2-7,9,11-12H2,1H3,(H,19,20).
What are the key properties of (3-pentylphenyl) N-cyclohexylcarbamate?
(3-pentylphenyl) N-cyclohexylcarbamate has a molecular weight of 289.42 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentylphenyl) N-cyclohexylcarbamate is sourced from PubChem (CID 11140803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).