1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione

C21H20N2O4 — CID 167792230

IUPAC1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)N(C(=O)c1ccc(CN3C(=O)CCC3=O)cc1)CC2
InChIInChI=1S/C21H20N2O4/c1-27-17-7-6-15-10-11-22(18(15)12-17)21(26)16-4-2-14(3-5-16)13-23-19(24)8-9-20(23)25/h2-7,12H,8-11,13H2,1H3
InChIKeyZJZZEYRIYDTLOH-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.55
Rot. Bonds4

About 1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione

1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 167792230) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID167792230
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
SMILESCOc1ccc2c(c1)N(C(=O)c1ccc(CN3C(=O)CCC3=O)cc1)CC2
InChIInChI=1S/C21H20N2O4/c1-27-17-7-6-15-10-11-22(18(15)12-17)21(26)16-4-2-14(3-5-16)13-23-19(24)8-9-20(23)25/h2-7,12H,8-11,13H2,1H3
InChIKeyZJZZEYRIYDTLOH-UHFFFAOYSA-N
XLogP2.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]propanamide
CID 53099278
3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099251
1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 53160326
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
2-(3,4-dimethoxyphenyl)-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 53099252
[5-(aminomethyl)-2,3-dihydroindol-1-yl]-(4-methoxyphenyl)methanone
CID 53212554
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 26444427
1-(2,4-dimethoxyphenyl)-3-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099677
1-[[4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 31843433
1-(hydroxymethyl)-7-methoxy-3,4-dihydroquinolin-2-one
CID 135138136

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione (CID 167792230) is 1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione is COc1ccc2c(c1)N(C(=O)c1ccc(CN3C(=O)CCC3=O)cc1)CC2.
What is the InChIKey of 1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is ZJZZEYRIYDTLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-27-17-7-6-15-10-11-22(18(15)12-17)21(26)16-4-2-14(3-5-16)13-23-19(24)8-9-20(23)25/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione?
1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 364.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(6-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 167792230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).