3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide

C33H33N3O2 — CID 83288318

About 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide

3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 83288318) has the molecular formula C33H33N3O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
• PubChem CID: 83288318
• Molecular Formula: C33H33N3O2
• Molecular Weight: 503.65 g/mol
• Exact Mass: 503.26
• IUPAC Name: 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide
• SMILES: COc1ccc(Cn2cc(C(CC(=O)NCCc3ccccn3)c3ccc(C)cc3)c3ccccc32)cc1
• InChI: InChI=1S/C33H33N3O2/c1-24-10-14-26(15-11-24)30(21-33(37)35-20-18-27-7-5-6-19-34-27)31-23-36(32-9-4-3-8-29(31)32)22-25-12-16-28(38-2)17-13-25/h3-17,19,23,30H,18,20-22H2,1-2H3,(H,35,37)
• InChIKey: MTMNVKDGMMNBJL-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 56.15 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	503.65
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide (CID 83288318) is 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide.

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

The canonical SMILES for 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide is COc1ccc(Cn2cc(C(CC(=O)NCCc3ccccn3)c3ccc(C)cc3)c3ccccc32)cc1.

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

The InChIKey is MTMNVKDGMMNBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O2/c1-24-10-14-26(15-11-24)30(21-33(37)35-20-18-27-7-5-6-19-34-27)31-23-36(32-9-4-3-8-29(31)32)22-25-12-16-28(38-2)17-13-25/h3-17,19,23,30H,18,20-22H2,1-2H3,(H,35,37).

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

3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 503.65 g/mol, XLogP of 6.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-3-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 83288318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).