benzene;ethyl N-octylcarbamate

C17H29NO2 — CID 67862811

IUPACbenzene;ethyl N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCC.c1ccccc1
InChIInChI=1S/C11H23NO2.C6H6/c1-3-5-6-7-8-9-10-12-11(13)14-4-2;1-2-4-6-5-3-1/h3-10H2,1-2H3,(H,12,13);1-6H
InChIKeyWVTWGZIFGHICQA-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.78
Rot. Bonds8

About benzene;ethyl N-octylcarbamate

benzene;ethyl N-octylcarbamate (PubChem CID 67862811) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is benzene;ethyl N-octylcarbamate.

Molecular Properties

Compound Namebenzene;ethyl N-octylcarbamate
PubChem CID67862811
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Namebenzene;ethyl N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCC.c1ccccc1
InChIInChI=1S/C11H23NO2.C6H6/c1-3-5-6-7-8-9-10-12-11(13)14-4-2;1-2-4-6-5-3-1/h3-10H2,1-2H3,(H,12,13);1-6H
InChIKeyWVTWGZIFGHICQA-UHFFFAOYSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.78
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 benzene;ethyl N-octylcarbamate?
The IUPAC name of benzene;ethyl N-octylcarbamate (CID 67862811) is benzene;ethyl N-octylcarbamate.
What is the SMILES notation for benzene;ethyl N-octylcarbamate?
The canonical SMILES for benzene;ethyl N-octylcarbamate is CCCCCCCCNC(=O)OCC.c1ccccc1.
What is the InChIKey of benzene;ethyl N-octylcarbamate?
The InChIKey is WVTWGZIFGHICQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C6H6/c1-3-5-6-7-8-9-10-12-11(13)14-4-2;1-2-4-6-5-3-1/h3-10H2,1-2H3,(H,12,13);1-6H.
What are the key properties of benzene;ethyl N-octylcarbamate?
benzene;ethyl N-octylcarbamate has a molecular weight of 279.42 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethyl N-octylcarbamate is sourced from PubChem (CID 67862811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).