octadecyl N-ethylidenecarbamate

C21H41NO2 — CID 57172450

IUPACoctadecyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(23)22-4-2/h4H,3,5-20H2,1-2H3
InChIKeyBHZCAJYXPVBFOH-UHFFFAOYSA-N
MW339.56 g/mol
LogP7.48
Rot. Bonds17

About octadecyl N-ethylidenecarbamate

octadecyl N-ethylidenecarbamate (PubChem CID 57172450) has the molecular formula C21H41NO2 and a molecular weight of 339.56 g/mol. Its IUPAC name is octadecyl N-ethylidenecarbamate.

Molecular Properties

Compound Nameoctadecyl N-ethylidenecarbamate
PubChem CID57172450
Molecular FormulaC21H41NO2
Molecular Weight339.56 g/mol
Exact Mass339.31
IUPAC Nameoctadecyl N-ethylidenecarbamate
SMILESCC=NC(=O)OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(23)22-4-2/h4H,3,5-20H2,1-2H3
InChIKeyBHZCAJYXPVBFOH-UHFFFAOYSA-N
XLogP7.48
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.56
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of octadecyl N-ethylidenecarbamate?
The IUPAC name of octadecyl N-ethylidenecarbamate (CID 57172450) is octadecyl N-ethylidenecarbamate.
What is the SMILES notation for octadecyl N-ethylidenecarbamate?
The canonical SMILES for octadecyl N-ethylidenecarbamate is CC=NC(=O)OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of octadecyl N-ethylidenecarbamate?
The InChIKey is BHZCAJYXPVBFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(23)22-4-2/h4H,3,5-20H2,1-2H3.
What are the key properties of octadecyl N-ethylidenecarbamate?
octadecyl N-ethylidenecarbamate has a molecular weight of 339.56 g/mol, XLogP of 7.48, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl N-ethylidenecarbamate is sourced from PubChem (CID 57172450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).