3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

C30H33N3O3 — CID 26973103

About 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 26973103) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
• PubChem CID: 26973103
• Molecular Formula: C30H33N3O3
• Molecular Weight: 483.61 g/mol
• Exact Mass: 483.25
• IUPAC Name: 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
• SMILES: COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1
• InChI: InChI=1S/C30H33N3O3/c1-32(21-22-7-11-24(12-8-22)33-17-19-36-20-18-33)29(34)16-15-27-26-5-3-4-6-28(26)31-30(27)23-9-13-25(35-2)14-10-23/h3-14,31H,15-21H2,1-2H3
• InChIKey: ZSODDZGGQOWEHU-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 57.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?

The IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (CID 26973103) is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.

What is the SMILES notation for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?

The canonical SMILES for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1.

What is the InChIKey of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?

The InChIKey is ZSODDZGGQOWEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-32(21-22-7-11-24(12-8-22)33-17-19-36-20-18-33)29(34)16-15-27-26-5-3-4-6-28(26)31-30(27)23-9-13-25(35-2)14-10-23/h3-14,31H,15-21H2,1-2H3.

What are the key properties of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 483.61 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 26973103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).