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

C22H40N2O8 — CID 87322437

IUPACethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
SMILESCCOC(=O)CCN(CCC(=O)OCC)CCN(CCC(=O)OCC)CCC(=O)OCC
InChIInChI=1S/C22H40N2O8/c1-5-29-19(25)9-13-23(14-10-20(26)30-6-2)17-18-24(15-11-21(27)31-7-3)16-12-22(28)32-8-4/h5-18H2,1-4H3
InChIKeyYGPDRGHWFMTWRW-UHFFFAOYSA-N
MW460.57 g/mol
LogP1.40
Rot. Bonds19

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

ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate (PubChem CID 87322437) has the molecular formula C22H40N2O8 and a molecular weight of 460.57 g/mol. Its IUPAC name is ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
PubChem CID87322437
Molecular FormulaC22H40N2O8
Molecular Weight460.57 g/mol
Exact Mass460.28
IUPAC Nameethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
SMILESCCOC(=O)CCN(CCC(=O)OCC)CCN(CCC(=O)OCC)CCC(=O)OCC
InChIInChI=1S/C22H40N2O8/c1-5-29-19(25)9-13-23(14-10-20(26)30-6-2)17-18-24(15-11-21(27)31-7-3)16-12-22(28)32-8-4/h5-18H2,1-4H3
InChIKeyYGPDRGHWFMTWRW-UHFFFAOYSA-N
XLogP1.40
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]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-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760
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
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-trimethoxysilylpropyl)amino]propanoate
CID 170745110
ethyl 3-[2-(2-chloroethoxy)ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 134432792
ethyl 3-[2-(3-ethoxy-3-oxopropyl)sulfanylethyl-(3-oxobutyl)amino]propanoate
CID 164992621
3-[(3-ethoxy-3-oxopropyl)-hexylamino]propanoic acid
CID 140535457
ethyl 3-[hydroxy(oxido)amino]propanoate
CID 163126069
ethyl 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 10515446
ethyl 3-[2-[2-[2-aminoethyl-(3-ethoxy-3-oxopropyl)amino]ethylamino]ethylamino]propanoate
CID 143379175
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate?
The IUPAC name of ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate (CID 87322437) is ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate?
The canonical SMILES for ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate is CCOC(=O)CCN(CCC(=O)OCC)CCN(CCC(=O)OCC)CCC(=O)OCC.
What is the InChIKey of ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate?
The InChIKey is YGPDRGHWFMTWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2O8/c1-5-29-19(25)9-13-23(14-10-20(26)30-6-2)17-18-24(15-11-21(27)31-7-3)16-12-22(28)32-8-4/h5-18H2,1-4H3.
What are the key properties of ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate?
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate has a molecular weight of 460.57 g/mol, XLogP of 1.40, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate is sourced from PubChem (CID 87322437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).