[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

C24H25NO6 — CID 8739326

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
SMILESC/C=C/c1ccc(OCC(=O)OCC(=O)c2cccc(N3CCCC3=O)c2)c(OC)c1
InChIInChI=1S/C24H25NO6/c1-3-6-17-10-11-21(22(13-17)29-2)30-16-24(28)31-15-20(26)18-7-4-8-19(14-18)25-12-5-9-23(25)27/h3-4,6-8,10-11,13-14H,5,9,12,15-16H2,1-2H3/b6-3+
InChIKeyWEILVGSADSYVFU-ZZXKWVIFSA-N
MW423.47 g/mol
LogP3.66
Rot. Bonds9

About [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (PubChem CID 8739326) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
PubChem CID8739326
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
SMILESC/C=C/c1ccc(OCC(=O)OCC(=O)c2cccc(N3CCCC3=O)c2)c(OC)c1
InChIInChI=1S/C24H25NO6/c1-3-6-17-10-11-21(22(13-17)29-2)30-16-24(28)31-15-20(26)18-7-4-8-19(14-18)25-12-5-9-23(25)27/h3-4,6-8,10-11,13-14H,5,9,12,15-16H2,1-2H3/b6-3+
InChIKeyWEILVGSADSYVFU-ZZXKWVIFSA-N
XLogP3.66
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate 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

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8953376
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 5-chloro-2-methoxybenzoate
CID 8738366
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8879877
2-(4-formyl-2-methoxyphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26459128
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8727594
[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907939
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 3,4-dimethoxybenzoate
CID 8649056
(2-benzamido-2-oxoethyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527714
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2-fluorophenyl)acetate
CID 8958198
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8883095
[2-(3-fluorophenyl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8678174

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (CID 8739326) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is C/C=C/c1ccc(OCC(=O)OCC(=O)c2cccc(N3CCCC3=O)c2)c(OC)c1.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The InChIKey is WEILVGSADSYVFU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C24H25NO6/c1-3-6-17-10-11-21(22(13-17)29-2)30-16-24(28)31-15-20(26)18-7-4-8-19(14-18)25-12-5-9-23(25)27/h3-4,6-8,10-11,13-14H,5,9,12,15-16H2,1-2H3/b6-3+.
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate has a molecular weight of 423.47 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is sourced from PubChem (CID 8739326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).