octyl N-hexylcarbamate

C15H31NO2 — CID 11357342

IUPACoctyl N-hexylcarbamate
SMILESCCCCCCCCOC(=O)NCCCCCC
InChIInChI=1S/C15H31NO2/c1-3-5-7-9-10-12-14-18-15(17)16-13-11-8-6-4-2/h3-14H2,1-2H3,(H,16,17)
InChIKeyRURCHJQJCVWZIA-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.65
Rot. Bonds12

About octyl N-hexylcarbamate

octyl N-hexylcarbamate (PubChem CID 11357342) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is octyl N-hexylcarbamate.

Molecular Properties

Compound Nameoctyl N-hexylcarbamate
PubChem CID11357342
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Nameoctyl N-hexylcarbamate
SMILESCCCCCCCCOC(=O)NCCCCCC
InChIInChI=1S/C15H31NO2/c1-3-5-7-9-10-12-14-18-15(17)16-13-11-8-6-4-2/h3-14H2,1-2H3,(H,16,17)
InChIKeyRURCHJQJCVWZIA-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze octyl N-hexylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of octyl N-hexylcarbamate?
The IUPAC name of octyl N-hexylcarbamate (CID 11357342) is octyl N-hexylcarbamate.
What is the SMILES notation for octyl N-hexylcarbamate?
The canonical SMILES for octyl N-hexylcarbamate is CCCCCCCCOC(=O)NCCCCCC.
What is the InChIKey of octyl N-hexylcarbamate?
The InChIKey is RURCHJQJCVWZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-5-7-9-10-12-14-18-15(17)16-13-11-8-6-4-2/h3-14H2,1-2H3,(H,16,17).
What are the key properties of octyl N-hexylcarbamate?
octyl N-hexylcarbamate has a molecular weight of 257.42 g/mol, XLogP of 4.65, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-hexylcarbamate is sourced from PubChem (CID 11357342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).