(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C24H27N3O3 — CID 95098496

About (3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95098496) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is (3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 95098496
• Molecular Formula: C24H27N3O3
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.21
• IUPAC Name: (3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: CC(=O)N1CCc2cc(N3C[C@@H](C(=O)NCc4ccc(C)c(C)c4)CC3=O)ccc21
• InChI: InChI=1S/C24H27N3O3/c1-15-4-5-18(10-16(15)2)13-25-24(30)20-12-23(29)27(14-20)21-6-7-22-19(11-21)8-9-26(22)17(3)28/h4-7,10-11,20H,8-9,12-14H2,1-3H3,(H,25,30)/t20-/m0/s1
• InChIKey: UAMOWQMLDYXBPU-FQEVSTJZSA-N
• XLogP: 2.88
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 95098496) is (3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

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

The canonical SMILES for (3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCc2cc(N3C[C@@H](C(=O)NCc4ccc(C)c(C)c4)CC3=O)ccc21.

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

The InChIKey is UAMOWQMLDYXBPU-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-15-4-5-18(10-16(15)2)13-25-24(30)20-12-23(29)27(14-20)21-6-7-22-19(11-21)8-9-26(22)17(3)28/h4-7,10-11,20H,8-9,12-14H2,1-3H3,(H,25,30)/t20-/m0/s1.

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

(3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95098496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).