octyl N-pentylcarbamate

C14H29NO2 — CID 12878170

IUPACoctyl N-pentylcarbamate
SMILESCCCCCCCCOC(=O)NCCCCC
InChIInChI=1S/C14H29NO2/c1-3-5-7-8-9-11-13-17-14(16)15-12-10-6-4-2/h3-13H2,1-2H3,(H,15,16)
InChIKeyGALTXJYOFVGCKI-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.26
Rot. Bonds11

About octyl N-pentylcarbamate

octyl N-pentylcarbamate (PubChem CID 12878170) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is octyl N-pentylcarbamate.

Molecular Properties

Compound Nameoctyl N-pentylcarbamate
PubChem CID12878170
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nameoctyl N-pentylcarbamate
SMILESCCCCCCCCOC(=O)NCCCCC
InChIInChI=1S/C14H29NO2/c1-3-5-7-8-9-11-13-17-14(16)15-12-10-6-4-2/h3-13H2,1-2H3,(H,15,16)
InChIKeyGALTXJYOFVGCKI-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.26
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 octyl N-pentylcarbamate?
The IUPAC name of octyl N-pentylcarbamate (CID 12878170) is octyl N-pentylcarbamate.
What is the SMILES notation for octyl N-pentylcarbamate?
The canonical SMILES for octyl N-pentylcarbamate is CCCCCCCCOC(=O)NCCCCC.
What is the InChIKey of octyl N-pentylcarbamate?
The InChIKey is GALTXJYOFVGCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-3-5-7-8-9-11-13-17-14(16)15-12-10-6-4-2/h3-13H2,1-2H3,(H,15,16).
What are the key properties of octyl N-pentylcarbamate?
octyl N-pentylcarbamate has a molecular weight of 243.39 g/mol, XLogP of 4.26, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-pentylcarbamate is sourced from PubChem (CID 12878170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).