3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

C22H23N3O4 — CID 42890342

IUPAC3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(Nc3ccc4c(c3)CCN4C(C)=O)C2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-3-29-18-7-5-17(6-8-18)25-21(27)13-19(22(25)28)23-16-4-9-20-15(12-16)10-11-24(20)14(2)26/h4-9,12,19,23H,3,10-11,13H2,1-2H3
InChIKeyHFVAEWXYZMLTSH-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.74
Rot. Bonds5

About 3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 42890342) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
PubChem CID42890342
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(Nc3ccc4c(c3)CCN4C(C)=O)C2=O)cc1
InChIInChI=1S/C22H23N3O4/c1-3-29-18-7-5-17(6-8-18)25-21(27)13-19(22(25)28)23-16-4-9-20-15(12-16)10-11-24(20)14(2)26/h4-9,12,19,23H,3,10-11,13H2,1-2H3
InChIKeyHFVAEWXYZMLTSH-UHFFFAOYSA-N
XLogP2.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione with MolForge

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Related Compounds

3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
1-(4-ethoxyphenyl)-3-(3-fluoroanilino)pyrrolidine-2,5-dione
CID 43844693
1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2877269
1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 3401252
(3R)-1-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2397103
(3S)-1-[4-(difluoromethylsulfanyl)phenyl]-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 2242272
1-(2,4-dimethoxyphenyl)-3-(4-ethoxyanilino)pyrrolidine-2,5-dione
CID 22332764
1-[5-(cyclopentylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684604
methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 2872639
3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 71669987
(3R)-3-(4-methylanilino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7025063
(3S)-3-(2,4-dichloroanilino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 51860191

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione (CID 42890342) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(Nc3ccc4c(c3)CCN4C(C)=O)C2=O)cc1.
What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is HFVAEWXYZMLTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-29-18-7-5-17(6-8-18)25-21(27)13-19(22(25)28)23-16-4-9-20-15(12-16)10-11-24(20)14(2)26/h4-9,12,19,23H,3,10-11,13H2,1-2H3.
What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione?
3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 393.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 42890342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).