(3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide

C33H39N3O2 — CID 92912022

About (3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide

(3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 92912022) has the molecular formula C33H39N3O2 and a molecular weight of 509.69 g/mol. Its IUPAC name is (3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

• Compound Name: (3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
• PubChem CID: 92912022
• Molecular Formula: C33H39N3O2
• Molecular Weight: 509.69 g/mol
• Exact Mass: 509.30
• IUPAC Name: (3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
• SMILES: Cc1ccc(Cn2cc([C@H](CC(=O)NCCCN3CCOCC3)c3cccc(C)c3)c3ccccc32)cc1
• InChI: InChI=1S/C33H39N3O2/c1-25-11-13-27(14-12-25)23-36-24-31(29-9-3-4-10-32(29)36)30(28-8-5-7-26(2)21-28)22-33(37)34-15-6-16-35-17-19-38-20-18-35/h3-5,7-14,21,24,30H,6,15-20,22-23H2,1-2H3,(H,34,37)/t30-/m1/s1
• InChIKey: DMADQLUXQANZOD-SSEXGKCCSA-N
• XLogP: 5.67
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.69
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?

The IUPAC name of (3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 92912022) is (3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

What is the SMILES notation for (3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?

The canonical SMILES for (3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide is Cc1ccc(Cn2cc([C@H](CC(=O)NCCCN3CCOCC3)c3cccc(C)c3)c3ccccc32)cc1.

What is the InChIKey of (3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?

The InChIKey is DMADQLUXQANZOD-SSEXGKCCSA-N. The full InChI is InChI=1S/C33H39N3O2/c1-25-11-13-27(14-12-25)23-36-24-31(29-9-3-4-10-32(29)36)30(28-8-5-7-26(2)21-28)22-33(37)34-15-6-16-35-17-19-38-20-18-35/h3-5,7-14,21,24,30H,6,15-20,22-23H2,1-2H3,(H,34,37)/t30-/m1/s1.

What are the key properties of (3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide?

(3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 509.69 g/mol, XLogP of 5.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(3-methylphenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 92912022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).