1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione

C21H22N4O5 — CID 157053560

IUPAC1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
SMILESCOc1cc(N)ccc1N1C(=O)CCC1=O.Nc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C11H12N2O3.C10H10N2O2/c1-16-9-6-7(12)2-3-8(9)13-10(14)4-5-11(13)15;11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h2-3,6H,4-5,12H2,1H3;1-4H,5-6,11H2
InChIKeyAAMIBVOYXKETFY-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.85
Rot. Bonds3

About 1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione

1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione (PubChem CID 157053560) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
PubChem CID157053560
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
SMILESCOc1cc(N)ccc1N1C(=O)CCC1=O.Nc1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C11H12N2O3.C10H10N2O2/c1-16-9-6-7(12)2-3-8(9)13-10(14)4-5-11(13)15;11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h2-3,6H,4-5,12H2,1H3;1-4H,5-6,11H2
InChIKeyAAMIBVOYXKETFY-UHFFFAOYSA-N
XLogP1.85
TPSA136.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 43382567
(3R,4S)-1-(4-amino-2-methoxyphenyl)pyrrolidine-3,4-diol
CID 58387717
1-(3-amino-4-methoxyphenyl)piperidine-2,6-dione
CID 61351313
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxyaniline
CID 91684405
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
2-(4-aminophenyl)-4,7-dimethoxyisoindole-1,3-dione
CID 10447388
1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
CID 159530815
4-amino-2-(4-amino-2-methoxyphenyl)isoindole-1,3-dione
CID 139787318
4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline
CID 91679308
6-amino-1-[4-(aminomethyl)phenyl]-3,4-dihydroquinolin-2-one
CID 117041603
(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol
CID 67215346
3-methoxy-4-(4-methylimidazol-1-yl)aniline;1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 161433764

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione (CID 157053560) is 1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione is COc1cc(N)ccc1N1C(=O)CCC1=O.Nc1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione?
The InChIKey is AAMIBVOYXKETFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3.C10H10N2O2/c1-16-9-6-7(12)2-3-8(9)13-10(14)4-5-11(13)15;11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h2-3,6H,4-5,12H2,1H3;1-4H,5-6,11H2.
What are the key properties of 1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione?
1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione has a molecular weight of 410.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methoxyphenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 157053560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).