(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C24H27N3O4 — CID 95098519

About (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95098519) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 95098519
• Molecular Formula: C24H27N3O4
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.20
• IUPAC Name: (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: COc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)cc1
• InChI: InChI=1S/C24H27N3O4/c1-15(17-4-7-21(31-3)8-5-17)25-24(30)19-13-23(29)27(14-19)20-6-9-22-18(12-20)10-11-26(22)16(2)28/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H,25,30)/t15-,19+/m0/s1
• InChIKey: NRPBOMPZOKOGCJ-HNAYVOBHSA-N
• XLogP: 2.83
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 95098519) is (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCN4C(C)=O)C2)cc1.

What is the InChIKey of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is NRPBOMPZOKOGCJ-HNAYVOBHSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-15(17-4-7-21(31-3)8-5-17)25-24(30)19-13-23(29)27(14-19)20-6-9-22-18(12-20)10-11-26(22)16(2)28/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H,25,30)/t15-,19+/m0/s1.

What are the key properties of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?

(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95098519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).