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

C36H38N2O5 — CID 83274548

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

N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide (PubChem CID 83274548) has the molecular formula C36H38N2O5 and a molecular weight of 578.71 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
• PubChem CID: 83274548
• Molecular Formula: C36H38N2O5
• Molecular Weight: 578.71 g/mol
• Exact Mass: 578.28
• IUPAC Name: N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
• SMILES: COCCNC(=O)CC(c1ccc(OCc2ccccc2)c(OC)c1)c1cn(Cc2ccc(OC)cc2)c2ccccc12
• InChI: InChI=1S/C36H38N2O5/c1-40-20-19-37-36(39)22-31(28-15-18-34(35(21-28)42-3)43-25-27-9-5-4-6-10-27)32-24-38(33-12-8-7-11-30(32)33)23-26-13-16-29(41-2)17-14-26/h4-18,21,24,31H,19-20,22-23,25H2,1-3H3,(H,37,39)
• InChIKey: BZZYAZBPZXLPKV-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 70.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	578.71
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide (CID 83274548) is N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide.

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

The canonical SMILES for N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide is COCCNC(=O)CC(c1ccc(OCc2ccccc2)c(OC)c1)c1cn(Cc2ccc(OC)cc2)c2ccccc12.

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

The InChIKey is BZZYAZBPZXLPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2O5/c1-40-20-19-37-36(39)22-31(28-15-18-34(35(21-28)42-3)43-25-27-9-5-4-6-10-27)32-24-38(33-12-8-7-11-30(32)33)23-26-13-16-29(41-2)17-14-26/h4-18,21,24,31H,19-20,22-23,25H2,1-3H3,(H,37,39).

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

N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide has a molecular weight of 578.71 g/mol, XLogP of 6.57, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 83274548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).