ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate

C20H25NO7 — CID 54160082

IUPACethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)C1CCCN1C(=O)CCC(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C20H25NO7/c1-4-28-20(25)19(24)15-6-5-11-21(15)18(23)10-8-16(22)14-12-13(26-2)7-9-17(14)27-3/h7,9,12,15H,4-6,8,10-11H2,1-3H3
InChIKeyONUFDLKSSWFHBW-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.79
Rot. Bonds9

About ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate

ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate (PubChem CID 54160082) has the molecular formula C20H25NO7 and a molecular weight of 391.42 g/mol. Its IUPAC name is ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate
PubChem CID54160082
Molecular FormulaC20H25NO7
Molecular Weight391.42 g/mol
Exact Mass391.16
IUPAC Nameethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)C1CCCN1C(=O)CCC(=O)c1cc(OC)ccc1OC
InChIInChI=1S/C20H25NO7/c1-4-28-20(25)19(24)15-6-5-11-21(15)18(23)10-8-16(22)14-12-13(26-2)7-9-17(14)27-3/h7,9,12,15H,4-6,8,10-11H2,1-3H3
InChIKeyONUFDLKSSWFHBW-UHFFFAOYSA-N
XLogP1.79
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate 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 2-oxo-2-[1-(4-oxo-4-phenylbutanoyl)pyrrolidin-2-yl]acetate
CID 54064110
(2S)-1-[4-(5-bromo-2-methoxyphenyl)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119365861
ethyl 2-oxo-2-[(2S)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-2-yl]acetate
CID 15021098
(2R)-1-[3-(2,5-dimethoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372093
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 51255954
ethyl 2-[1-(4-methylbenzoyl)pyrrolidin-2-yl]-2-oxoacetate
CID 54261417
ethyl (2S)-1-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-2-carboxylate
CID 129419871
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63765380
1-(2-fluorophenyl)-4-[2-(4-methoxy-3-methylbenzoyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110607731
ethyl N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]carbamate
CID 55683726

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate (CID 54160082) is ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate is CCOC(=O)C(=O)C1CCCN1C(=O)CCC(=O)c1cc(OC)ccc1OC.
What is the InChIKey of ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate?
The InChIKey is ONUFDLKSSWFHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO7/c1-4-28-20(25)19(24)15-6-5-11-21(15)18(23)10-8-16(22)14-12-13(26-2)7-9-17(14)27-3/h7,9,12,15H,4-6,8,10-11H2,1-3H3.
What are the key properties of ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate?
ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate has a molecular weight of 391.42 g/mol, XLogP of 1.79, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[4-(2,5-dimethoxyphenyl)-4-oxobutanoyl]pyrrolidin-2-yl]-2-oxoacetate is sourced from PubChem (CID 54160082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).