4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide

C22H23N3O5 — CID 25161545

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H23N3O5/c1-3-24(14-19(26)23-16-6-10-18(30-2)11-7-16)22(29)15-4-8-17(9-5-15)25-20(27)12-13-21(25)28/h4-11H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyKJEHNGDLPZDVQH-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.45
Rot. Bonds7

About 4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide

4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide (PubChem CID 25161545) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
PubChem CID25161545
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C22H23N3O5/c1-3-24(14-19(26)23-16-6-10-18(30-2)11-7-16)22(29)15-4-8-17(9-5-15)25-20(27)12-13-21(25)28/h4-11H,3,12-14H2,1-2H3,(H,23,26)
InChIKeyKJEHNGDLPZDVQH-UHFFFAOYSA-N
XLogP2.45
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-(2,5-dioxopyrrolidin-1-yl)-N-ethylbenzamide
CID 16552137
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 25162408
1-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]pyrrolidine-2,5-dione
CID 139125075
N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
CID 8587287
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2453325
N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide
CID 4882260
N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 47105894
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
CID 9094852
4-[4-[[2-[(4-methoxybenzoyl)-propylamino]acetyl]amino]phenyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42677224
4-methoxy-N-[2-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]anilino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42676137
2-bromo-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 9094853
N-[4-(diethylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 24560612

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide (CID 25161545) is 4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide is CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is KJEHNGDLPZDVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-24(14-19(26)23-16-6-10-18(30-2)11-7-16)22(29)15-4-8-17(9-5-15)25-20(27)12-13-21(25)28/h4-11H,3,12-14H2,1-2H3,(H,23,26).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 409.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 25161545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).