2-(4-methoxyphenoxy)ethyl N-ethylcarbamate

C12H17NO4 — CID 10586068

IUPAC2-(4-methoxyphenoxy)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCOc1ccc(OC)cc1
InChIInChI=1S/C12H17NO4/c1-3-13-12(14)17-9-8-16-11-6-4-10(15-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyCTBAJXKZBDPSRU-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.82
Rot. Bonds6

About 2-(4-methoxyphenoxy)ethyl N-ethylcarbamate

2-(4-methoxyphenoxy)ethyl N-ethylcarbamate (PubChem CID 10586068) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl N-ethylcarbamate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl N-ethylcarbamate
PubChem CID10586068
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(4-methoxyphenoxy)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCCOc1ccc(OC)cc1
InChIInChI=1S/C12H17NO4/c1-3-13-12(14)17-9-8-16-11-6-4-10(15-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyCTBAJXKZBDPSRU-UHFFFAOYSA-N
XLogP1.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(4-methoxyphenoxy)ethyl N-ethylcarbamate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl N-ethylcarbamate (CID 10586068) is 2-(4-methoxyphenoxy)ethyl N-ethylcarbamate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl N-ethylcarbamate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl N-ethylcarbamate is CCNC(=O)OCCOc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl N-ethylcarbamate?
The InChIKey is CTBAJXKZBDPSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-13-12(14)17-9-8-16-11-6-4-10(15-2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-methoxyphenoxy)ethyl N-ethylcarbamate?
2-(4-methoxyphenoxy)ethyl N-ethylcarbamate has a molecular weight of 239.27 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl N-ethylcarbamate is sourced from PubChem (CID 10586068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).