2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate

C23H47NO4 — CID 14782678

IUPAC2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
SMILESCCCCCCCCCCCCCCCCCCNC(=O)OCCOCCO
InChIInChI=1S/C23H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-23(26)28-22-21-27-20-19-25/h25H,2-22H2,1H3,(H,24,26)
InChIKeyUPJWMEMWMZWNOV-UHFFFAOYSA-N
MW401.63 g/mol
LogP5.98
Rot. Bonds22

About 2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate

2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate (PubChem CID 14782678) has the molecular formula C23H47NO4 and a molecular weight of 401.63 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
PubChem CID14782678
Molecular FormulaC23H47NO4
Molecular Weight401.63 g/mol
Exact Mass401.35
IUPAC Name2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
SMILESCCCCCCCCCCCCCCCCCCNC(=O)OCCOCCO
InChIInChI=1S/C23H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-23(26)28-22-21-27-20-19-25/h25H,2-22H2,1H3,(H,24,26)
InChIKeyUPJWMEMWMZWNOV-UHFFFAOYSA-N
XLogP5.98
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.63
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl N-heptylcarbamate
CID 124705283
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
1-dodecyl-3-[7-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]heptyl]urea
CID 101460044
2-fluoroethyl N-hexylcarbamate
CID 87287131
azane;octyl N-octylcarbamate
CID 175531380
2-hydroxyethyl N-(3-propoxypropyl)carbamate
CID 82947518
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-(3-triethoxysilylpropyl)carbamate
CID 102138334
2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate
CID 87800819

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate (CID 14782678) is 2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate is CCCCCCCCCCCCCCCCCCNC(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate?
The InChIKey is UPJWMEMWMZWNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-23(26)28-22-21-27-20-19-25/h25H,2-22H2,1H3,(H,24,26).
What are the key properties of 2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate?
2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate has a molecular weight of 401.63 g/mol, XLogP of 5.98, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate is sourced from PubChem (CID 14782678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).