ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate

C14H26ClNO5 — CID 134432792

IUPACethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
SMILESCCOC(=O)CCN(CCOCCCl)CCC(=O)OCC
InChIInChI=1S/C14H26ClNO5/c1-3-20-13(17)5-8-16(10-12-19-11-7-15)9-6-14(18)21-4-2/h3-12H2,1-2H3
InChIKeyUTWSJCZJLQVDJK-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.45
Rot. Bonds13

About ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate

ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate (PubChem CID 134432792) has the molecular formula C14H26ClNO5 and a molecular weight of 323.82 g/mol. Its IUPAC name is ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
PubChem CID134432792
Molecular FormulaC14H26ClNO5
Molecular Weight323.82 g/mol
Exact Mass323.15
IUPAC Nameethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
SMILESCCOC(=O)CCN(CCOCCCl)CCC(=O)OCC
InChIInChI=1S/C14H26ClNO5/c1-3-20-13(17)5-8-16(10-12-19-11-7-15)9-6-14(18)21-4-2/h3-12H2,1-2H3
InChIKeyUTWSJCZJLQVDJK-UHFFFAOYSA-N
XLogP1.45
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl 3-[2-[2-[2-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]ethoxy]ethoxy]ethyl-[3-(2-hydroxyethoxy)-3-oxopropyl]amino]propanoate
CID 156821479
ethyl 3-[dodecyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 11406516
ethyl 3-[(3-ethoxy-3-oxopropyl)-[2-(3-ethoxy-3-oxopropyl)sulfanylethyl]amino]propanoate
CID 154659479
2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 23544927
ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
CID 102349258
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
ethyl 2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]acetate
CID 20553419
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate?
The IUPAC name of ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate (CID 134432792) is ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate?
The canonical SMILES for ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate is CCOC(=O)CCN(CCOCCCl)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate?
The InChIKey is UTWSJCZJLQVDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO5/c1-3-20-13(17)5-8-16(10-12-19-11-7-15)9-6-14(18)21-4-2/h3-12H2,1-2H3.
What are the key properties of ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate?
ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate has a molecular weight of 323.82 g/mol, XLogP of 1.45, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate is sourced from PubChem (CID 134432792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).