methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

C23H23N3O5 — CID 53155711

IUPACmethyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)cc1
InChIInChI=1S/C23H23N3O5/c1-14(27)25-10-9-16-11-19(7-8-20(16)25)26-13-17(12-21(26)28)22(29)24-18-5-3-15(4-6-18)23(30)31-2/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,24,29)
InChIKeyIXONZTPCJPNCHA-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.37
Rot. Bonds4

About methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate

methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (PubChem CID 53155711) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
PubChem CID53155711
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Namemethyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)cc1
InChIInChI=1S/C23H23N3O5/c1-14(27)25-10-9-16-11-19(7-8-20(16)25)26-13-17(12-21(26)28)22(29)24-18-5-3-15(4-6-18)23(30)31-2/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,24,29)
InChIKeyIXONZTPCJPNCHA-UHFFFAOYSA-N
XLogP2.37
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098497
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098431
(3S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098694
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155670
methyl 4-[4-[(4-acetylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189487
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155643
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155707
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155837
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155646
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098377
(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098350
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098335

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate (CID 53155711) is methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)cc1.
What is the InChIKey of methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
The InChIKey is IXONZTPCJPNCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-14(27)25-10-9-16-11-19(7-8-20(16)25)26-13-17(12-21(26)28)22(29)24-18-5-3-15(4-6-18)23(30)31-2/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,24,29).
What are the key properties of methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate?
methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate has a molecular weight of 421.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(1-acetyl-2,3-dihydroindol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 53155711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).