N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide

C30H33F3N2O6 — CID 2068940

About N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide

N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 2068940) has the molecular formula C30H33F3N2O6 and a molecular weight of 574.60 g/mol. Its IUPAC name is N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide
• PubChem CID: 2068940
• Molecular Formula: C30H33F3N2O6
• Molecular Weight: 574.60 g/mol
• Exact Mass: 574.23
• IUPAC Name: N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide
• SMILES: COc1ccc(CCC(=O)N[C@@]2(C(F)(F)F)C(=O)N(Cc3cccc(OC)c3OC)C3=C2C(=O)CC(C)(C)C3)cc1
• InChI: InChI=1S/C30H33F3N2O6/c1-28(2)15-21-25(22(36)16-28)29(30(31,32)33,34-24(37)14-11-18-9-12-20(39-3)13-10-18)27(38)35(21)17-19-7-6-8-23(40-4)26(19)41-5/h6-10,12-13H,11,14-17H2,1-5H3,(H,34,37)/t29-/m1/s1
• InChIKey: RHRZUGMEDDQOFO-GDLZYMKVSA-N
• XLogP: 4.75
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.60
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide?

The IUPAC name of N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide (CID 2068940) is N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide.

What is the SMILES notation for N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide?

The canonical SMILES for N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)N[C@@]2(C(F)(F)F)C(=O)N(Cc3cccc(OC)c3OC)C3=C2C(=O)CC(C)(C)C3)cc1.

What is the InChIKey of N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide?

The InChIKey is RHRZUGMEDDQOFO-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H33F3N2O6/c1-28(2)15-21-25(22(36)16-28)29(30(31,32)33,34-24(37)14-11-18-9-12-20(39-3)13-10-18)27(38)35(21)17-19-7-6-8-23(40-4)26(19)41-5/h6-10,12-13H,11,14-17H2,1-5H3,(H,34,37)/t29-/m1/s1.

What are the key properties of N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide?

N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 574.60 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]-6,6-dimethyl-2,4-dioxo-3-(trifluoromethyl)-5,7-dihydroindol-3-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 2068940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).