(3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide

C30H34N2O — CID 93114899

About (3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide

(3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide (PubChem CID 93114899) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is (3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

• Compound Name: (3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide
• PubChem CID: 93114899
• Molecular Formula: C30H34N2O
• Molecular Weight: 438.62 g/mol
• Exact Mass: 438.27
• IUPAC Name: (3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide
• SMILES: Cc1ccc(Cn2cc([C@@H](CC(=O)NCC(C)C)c3cccc(C)c3)c3ccccc32)cc1
• InChI: InChI=1S/C30H34N2O/c1-21(2)18-31-30(33)17-27(25-9-7-8-23(4)16-25)28-20-32(29-11-6-5-10-26(28)29)19-24-14-12-22(3)13-15-24/h5-16,20-21,27H,17-19H2,1-4H3,(H,31,33)/t27-/m0/s1
• InChIKey: TVEGXWGWJNNCTM-MHZLTWQESA-N
• XLogP: 6.60
• TPSA: 34.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.62
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide?

The IUPAC name of (3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide (CID 93114899) is (3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide.

What is the SMILES notation for (3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide?

The canonical SMILES for (3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide is Cc1ccc(Cn2cc([C@@H](CC(=O)NCC(C)C)c3cccc(C)c3)c3ccccc32)cc1.

What is the InChIKey of (3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide?

The InChIKey is TVEGXWGWJNNCTM-MHZLTWQESA-N. The full InChI is InChI=1S/C30H34N2O/c1-21(2)18-31-30(33)17-27(25-9-7-8-23(4)16-25)28-20-32(29-11-6-5-10-26(28)29)19-24-14-12-22(3)13-15-24/h5-16,20-21,27H,17-19H2,1-4H3,(H,31,33)/t27-/m0/s1.

What are the key properties of (3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide?

(3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 438.62 g/mol, XLogP of 6.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 93114899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).