propyl N-octylcarbamate

C12H25NO2 — CID 18951449

IUPACpropyl N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCCC
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-8-9-10-13-12(14)15-11-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyZCMLTJOUQXELAE-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.48
Rot. Bonds9

About propyl N-octylcarbamate

propyl N-octylcarbamate (PubChem CID 18951449) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is propyl N-octylcarbamate.

Molecular Properties

Compound Namepropyl N-octylcarbamate
PubChem CID18951449
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namepropyl N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCCC
InChIInChI=1S/C12H25NO2/c1-3-5-6-7-8-9-10-13-12(14)15-11-4-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyZCMLTJOUQXELAE-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.48
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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Related Compounds

propyl N-nonylcarbamate
CID 91709550
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
2-hydroxyethyl N-heptylcarbamate
CID 124705283
2-bromoethyl N-octadecylcarbamate
CID 59133738
2-fluoroethyl N-hexylcarbamate
CID 87287131
butyl 6-(propoxycarbonylamino)hexanoate
CID 91709696
octadecyl N-propylcarbamate
CID 175015942
ethane;2-(heptylamino)ethyl N-butylcarbamate
CID 144831677
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149

Frequently Asked Questions

What is the IUPAC name of propyl N-octylcarbamate?
The IUPAC name of propyl N-octylcarbamate (CID 18951449) is propyl N-octylcarbamate.
What is the SMILES notation for propyl N-octylcarbamate?
The canonical SMILES for propyl N-octylcarbamate is CCCCCCCCNC(=O)OCCC.
What is the InChIKey of propyl N-octylcarbamate?
The InChIKey is ZCMLTJOUQXELAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-6-7-8-9-10-13-12(14)15-11-4-2/h3-11H2,1-2H3,(H,13,14).
What are the key properties of propyl N-octylcarbamate?
propyl N-octylcarbamate has a molecular weight of 215.34 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-octylcarbamate is sourced from PubChem (CID 18951449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).