3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide

C39H43N3O5 — CID 83275450

About 3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide

3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 83275450) has the molecular formula C39H43N3O5 and a molecular weight of 633.79 g/mol. Its IUPAC name is 3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
• PubChem CID: 83275450
• Molecular Formula: C39H43N3O5
• Molecular Weight: 633.79 g/mol
• Exact Mass: 633.32
• IUPAC Name: 3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide
• SMILES: COc1ccc(Cn2cc(C(CC(=O)NCCN3CCOCC3)c3ccc(OC)c(OCc4ccccc4)c3)c3ccccc32)cc1
• InChI: InChI=1S/C39H43N3O5/c1-44-32-15-12-29(13-16-32)26-42-27-35(33-10-6-7-11-36(33)42)34(25-39(43)40-18-19-41-20-22-46-23-21-41)31-14-17-37(45-2)38(24-31)47-28-30-8-4-3-5-9-30/h3-17,24,27,34H,18-23,25-26,28H2,1-2H3,(H,40,43)
• InChIKey: SFAIUGZICIMBQQ-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 74.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.79
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 83275450) is 3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide.

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

The canonical SMILES for 3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide is COc1ccc(Cn2cc(C(CC(=O)NCCN3CCOCC3)c3ccc(OC)c(OCc4ccccc4)c3)c3ccccc32)cc1.

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

The InChIKey is SFAIUGZICIMBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N3O5/c1-44-32-15-12-29(13-16-32)26-42-27-35(33-10-6-7-11-36(33)42)34(25-39(43)40-18-19-41-20-22-46-23-21-41)31-14-17-37(45-2)38(24-31)47-28-30-8-4-3-5-9-30/h3-17,24,27,34H,18-23,25-26,28H2,1-2H3,(H,40,43).

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

3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 633.79 g/mol, XLogP of 6.26, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 83275450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).