propyl N-benzyl-N-hexylcarbamate

C17H27NO2 — CID 140974004

IUPACpropyl N-benzyl-N-hexylcarbamate
SMILESCCCCCCN(Cc1ccccc1)C(=O)OCCC
InChIInChI=1S/C17H27NO2/c1-3-5-6-10-13-18(17(19)20-14-4-2)15-16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13-15H2,1-2H3
InChIKeyGOQHJIZUZOYNGW-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.62
Rot. Bonds9

About propyl N-benzyl-N-hexylcarbamate

propyl N-benzyl-N-hexylcarbamate (PubChem CID 140974004) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is propyl N-benzyl-N-hexylcarbamate.

Molecular Properties

Compound Namepropyl N-benzyl-N-hexylcarbamate
PubChem CID140974004
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Namepropyl N-benzyl-N-hexylcarbamate
SMILESCCCCCCN(Cc1ccccc1)C(=O)OCCC
InChIInChI=1S/C17H27NO2/c1-3-5-6-10-13-18(17(19)20-14-4-2)15-16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13-15H2,1-2H3
InChIKeyGOQHJIZUZOYNGW-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
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 propyl N-benzyl-N-hexylcarbamate?
The IUPAC name of propyl N-benzyl-N-hexylcarbamate (CID 140974004) is propyl N-benzyl-N-hexylcarbamate.
What is the SMILES notation for propyl N-benzyl-N-hexylcarbamate?
The canonical SMILES for propyl N-benzyl-N-hexylcarbamate is CCCCCCN(Cc1ccccc1)C(=O)OCCC.
What is the InChIKey of propyl N-benzyl-N-hexylcarbamate?
The InChIKey is GOQHJIZUZOYNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-5-6-10-13-18(17(19)20-14-4-2)15-16-11-8-7-9-12-16/h7-9,11-12H,3-6,10,13-15H2,1-2H3.
What are the key properties of propyl N-benzyl-N-hexylcarbamate?
propyl N-benzyl-N-hexylcarbamate has a molecular weight of 277.41 g/mol, XLogP of 4.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-benzyl-N-hexylcarbamate is sourced from PubChem (CID 140974004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).