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

C36H38N2O5 — CID 98443934

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

(3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide (PubChem CID 98443934) has the molecular formula C36H38N2O5 and a molecular weight of 578.71 g/mol. Its IUPAC name is (3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

• Compound Name: (3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
• PubChem CID: 98443934
• Molecular Formula: C36H38N2O5
• Molecular Weight: 578.71 g/mol
• Exact Mass: 578.28
• IUPAC Name: (3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
• SMILES: COCCNC(=O)C[C@H](c1ccc(OC)c(OCc2ccccc2)c1)c1cn(Cc2ccc(OC)cc2)c2ccccc12
• InChI: InChI=1S/C36H38N2O5/c1-40-20-19-37-36(39)22-31(28-15-18-34(42-3)35(21-28)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)/t31-/m1/s1
• InChIKey: UDOGXXSDSNSFKZ-WJOKGBTCSA-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 (3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide?

The IUPAC name of (3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide (CID 98443934) is (3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide.

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

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

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

The InChIKey is UDOGXXSDSNSFKZ-WJOKGBTCSA-N. The full InChI is InChI=1S/C36H38N2O5/c1-40-20-19-37-36(39)22-31(28-15-18-34(42-3)35(21-28)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)/t31-/m1/s1.

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

(3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-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 (3R)-N-(2-methoxyethyl)-3-(4-methoxy-3-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 98443934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).