diethyl 2-[3-(diethylamino)propyl]propanedioate

C14H27NO4 — CID 4626536

IUPACdiethyl 2-[3-(diethylamino)propyl]propanedioate
SMILESCCOC(=O)C(CCCN(CC)CC)C(=O)OCC
InChIInChI=1S/C14H27NO4/c1-5-15(6-2)11-9-10-12(13(16)18-7-3)14(17)19-8-4/h12H,5-11H2,1-4H3
InChIKeyBLYNLPYSPJSYHY-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.85
Rot. Bonds10

About diethyl 2-[3-(diethylamino)propyl]propanedioate

diethyl 2-[3-(diethylamino)propyl]propanedioate (PubChem CID 4626536) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is diethyl 2-[3-(diethylamino)propyl]propanedioate.

Molecular Properties

Compound Namediethyl 2-[3-(diethylamino)propyl]propanedioate
PubChem CID4626536
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namediethyl 2-[3-(diethylamino)propyl]propanedioate
SMILESCCOC(=O)C(CCCN(CC)CC)C(=O)OCC
InChIInChI=1S/C14H27NO4/c1-5-15(6-2)11-9-10-12(13(16)18-7-3)14(17)19-8-4/h12H,5-11H2,1-4H3
InChIKeyBLYNLPYSPJSYHY-UHFFFAOYSA-N
XLogP1.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze diethyl 2-[3-(diethylamino)propyl]propanedioate 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 diethyl 2-[3-(diethylamino)propyl]propanedioate?
The IUPAC name of diethyl 2-[3-(diethylamino)propyl]propanedioate (CID 4626536) is diethyl 2-[3-(diethylamino)propyl]propanedioate.
What is the SMILES notation for diethyl 2-[3-(diethylamino)propyl]propanedioate?
The canonical SMILES for diethyl 2-[3-(diethylamino)propyl]propanedioate is CCOC(=O)C(CCCN(CC)CC)C(=O)OCC.
What is the InChIKey of diethyl 2-[3-(diethylamino)propyl]propanedioate?
The InChIKey is BLYNLPYSPJSYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-5-15(6-2)11-9-10-12(13(16)18-7-3)14(17)19-8-4/h12H,5-11H2,1-4H3.
What are the key properties of diethyl 2-[3-(diethylamino)propyl]propanedioate?
diethyl 2-[3-(diethylamino)propyl]propanedioate has a molecular weight of 273.37 g/mol, XLogP of 1.85, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[3-(diethylamino)propyl]propanedioate is sourced from PubChem (CID 4626536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).