methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate

C12H21NO6 — CID 20667282

IUPACmethyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate
SMILESC=CC(=O)NCCOCCOCCOCC(=O)OC
InChIInChI=1S/C12H21NO6/c1-3-11(14)13-4-5-17-6-7-18-8-9-19-10-12(15)16-2/h3H,1,4-10H2,2H3,(H,13,14)
InChIKeyCVBNTJCAAKONJW-UHFFFAOYSA-N
MW275.30 g/mol
LogP-0.49
Rot. Bonds12

About methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate

methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate (PubChem CID 20667282) has the molecular formula C12H21NO6 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate
PubChem CID20667282
Molecular FormulaC12H21NO6
Molecular Weight275.30 g/mol
Exact Mass275.14
IUPAC Namemethyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate
SMILESC=CC(=O)NCCOCCOCCOCC(=O)OC
InChIInChI=1S/C12H21NO6/c1-3-11(14)13-4-5-17-6-7-18-8-9-19-10-12(15)16-2/h3H,1,4-10H2,2H3,(H,13,14)
InChIKeyCVBNTJCAAKONJW-UHFFFAOYSA-N
XLogP-0.49
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate 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 methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate?
The IUPAC name of methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate (CID 20667282) is methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate?
The canonical SMILES for methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate is C=CC(=O)NCCOCCOCCOCC(=O)OC.
What is the InChIKey of methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate?
The InChIKey is CVBNTJCAAKONJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO6/c1-3-11(14)13-4-5-17-6-7-18-8-9-19-10-12(15)16-2/h3H,1,4-10H2,2H3,(H,13,14).
What are the key properties of methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate?
methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate has a molecular weight of 275.30 g/mol, XLogP of -0.49, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethoxy]acetate is sourced from PubChem (CID 20667282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).