1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

C20H21N3O4 — CID 2957197

IUPAC1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1
InChIInChI=1S/C20H21N3O4/c21-20(26)15-10-19(25)23(12-15)16-6-8-17(9-7-16)27-13-18(24)22-11-14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,21,26)(H,22,24)
InChIKeyMUGYNAFXKFFOAR-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.22
Rot. Bonds7

About 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide

1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 2957197) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID2957197
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1
InChIInChI=1S/C20H21N3O4/c21-20(26)15-10-19(25)23(12-15)16-6-8-17(9-7-16)27-13-18(24)22-11-14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,21,26)(H,22,24)
InChIKeyMUGYNAFXKFFOAR-UHFFFAOYSA-N
XLogP1.22
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide 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 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 2957197) is 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1.
What is the InChIKey of 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MUGYNAFXKFFOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c21-20(26)15-10-19(25)23(12-15)16-6-8-17(9-7-16)27-13-18(24)22-11-14-4-2-1-3-5-14/h1-9,15H,10-13H2,(H2,21,26)(H,22,24).
What are the key properties of 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2957197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).