2-ethoxyethyl 2-(methylamino)ethyl carbonate

C8H17NO4 — CID 23093505

IUPAC2-ethoxyethyl 2-(methylamino)ethyl carbonate
SMILESCCOCCOC(=O)OCCNC
InChIInChI=1S/C8H17NO4/c1-3-11-6-7-13-8(10)12-5-4-9-2/h9H,3-7H2,1-2H3
InChIKeyIURCQXYKLOMQJJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.40
Rot. Bonds7

About 2-ethoxyethyl 2-(methylamino)ethyl carbonate

2-ethoxyethyl 2-(methylamino)ethyl carbonate (PubChem CID 23093505) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(methylamino)ethyl carbonate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(methylamino)ethyl carbonate
PubChem CID23093505
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-ethoxyethyl 2-(methylamino)ethyl carbonate
SMILESCCOCCOC(=O)OCCNC
InChIInChI=1S/C8H17NO4/c1-3-11-6-7-13-8(10)12-5-4-9-2/h9H,3-7H2,1-2H3
InChIKeyIURCQXYKLOMQJJ-UHFFFAOYSA-N
XLogP0.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-ethoxyethyl 2-(methylamino)ethyl carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-(methylamino)ethyl carbonate?
The IUPAC name of 2-ethoxyethyl 2-(methylamino)ethyl carbonate (CID 23093505) is 2-ethoxyethyl 2-(methylamino)ethyl carbonate.
What is the SMILES notation for 2-ethoxyethyl 2-(methylamino)ethyl carbonate?
The canonical SMILES for 2-ethoxyethyl 2-(methylamino)ethyl carbonate is CCOCCOC(=O)OCCNC.
What is the InChIKey of 2-ethoxyethyl 2-(methylamino)ethyl carbonate?
The InChIKey is IURCQXYKLOMQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-3-11-6-7-13-8(10)12-5-4-9-2/h9H,3-7H2,1-2H3.
What are the key properties of 2-ethoxyethyl 2-(methylamino)ethyl carbonate?
2-ethoxyethyl 2-(methylamino)ethyl carbonate has a molecular weight of 191.23 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(methylamino)ethyl carbonate is sourced from PubChem (CID 23093505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).