(2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate

C17H24N2O3 — CID 4512972

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-3-18(4-2)15-9-7-14(8-10-15)17(21)22-13-16(20)19-11-5-6-12-19/h7-10H,3-6,11-13H2,1-2H3
InChIKeyWPTHLFNCFWEFRB-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.31
Rot. Bonds6

About (2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate

(2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate (PubChem CID 4512972) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate
PubChem CID4512972
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate
SMILESCCN(CC)c1ccc(C(=O)OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-3-18(4-2)15-9-7-14(8-10-15)17(21)22-13-16(20)19-11-5-6-12-19/h7-10H,3-6,11-13H2,1-2H3
InChIKeyWPTHLFNCFWEFRB-UHFFFAOYSA-N
XLogP2.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate 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-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate (CID 4512972) is (2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate is CCN(CC)c1ccc(C(=O)OCC(=O)N2CCCC2)cc1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate?
The InChIKey is WPTHLFNCFWEFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-18(4-2)15-9-7-14(8-10-15)17(21)22-13-16(20)19-11-5-6-12-19/h7-10H,3-6,11-13H2,1-2H3.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate?
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate has a molecular weight of 304.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate is sourced from PubChem (CID 4512972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).