undecyl N-octylcarbamate

C20H41NO2 — CID 168918698

IUPACundecyl N-octylcarbamate
SMILESCCCCCCCCCCCOC(=O)NCCCCCCCC
InChIInChI=1S/C20H41NO2/c1-3-5-7-9-11-12-13-15-17-19-23-20(22)21-18-16-14-10-8-6-4-2/h3-19H2,1-2H3,(H,21,22)
InChIKeyNEAFHTIRYOAODF-UHFFFAOYSA-N
MW327.55 g/mol
LogP6.60
Rot. Bonds17

About undecyl N-octylcarbamate

undecyl N-octylcarbamate (PubChem CID 168918698) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is undecyl N-octylcarbamate.

Molecular Properties

Compound Nameundecyl N-octylcarbamate
PubChem CID168918698
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Nameundecyl N-octylcarbamate
SMILESCCCCCCCCCCCOC(=O)NCCCCCCCC
InChIInChI=1S/C20H41NO2/c1-3-5-7-9-11-12-13-15-17-19-23-20(22)21-18-16-14-10-8-6-4-2/h3-19H2,1-2H3,(H,21,22)
InChIKeyNEAFHTIRYOAODF-UHFFFAOYSA-N
XLogP6.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze undecyl N-octylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
octadecyl N-propylcarbamate
CID 175015942
2-hydroxyethyl N-heptylcarbamate
CID 124705283
12-(heptylcarbamoyloxy)dodeca-5,7-diynyl N-heptylcarbamate
CID 102402143
12-(hexylcarbamoyloxy)dodeca-5,7-diynyl N-hexylcarbamate
CID 102402136
dodecyl N-(4-ethenoxybutyl)carbamate
CID 54048350
7-(butoxycarbonylamino)heptylcarbamic acid
CID 139823149
2-fluoroethyl N-hexylcarbamate
CID 87287131

Frequently Asked Questions

What is the IUPAC name of undecyl N-octylcarbamate?
The IUPAC name of undecyl N-octylcarbamate (CID 168918698) is undecyl N-octylcarbamate.
What is the SMILES notation for undecyl N-octylcarbamate?
The canonical SMILES for undecyl N-octylcarbamate is CCCCCCCCCCCOC(=O)NCCCCCCCC.
What is the InChIKey of undecyl N-octylcarbamate?
The InChIKey is NEAFHTIRYOAODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-3-5-7-9-11-12-13-15-17-19-23-20(22)21-18-16-14-10-8-6-4-2/h3-19H2,1-2H3,(H,21,22).
What are the key properties of undecyl N-octylcarbamate?
undecyl N-octylcarbamate has a molecular weight of 327.55 g/mol, XLogP of 6.60, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl N-octylcarbamate is sourced from PubChem (CID 168918698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).