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

C38H36N2O5 — CID 83274952

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

N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide (PubChem CID 83274952) has the molecular formula C38H36N2O5 and a molecular weight of 600.72 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
• PubChem CID: 83274952
• Molecular Formula: C38H36N2O5
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.26
• IUPAC Name: N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
• SMILES: COc1ccc(Cn2cc(C(CC(=O)NCc3ccco3)c3ccc(OCc4ccccc4)c(OC)c3)c3ccccc32)cc1
• InChI: InChI=1S/C38H36N2O5/c1-42-30-17-14-27(15-18-30)24-40-25-34(32-12-6-7-13-35(32)40)33(22-38(41)39-23-31-11-8-20-44-31)29-16-19-36(37(21-29)43-2)45-26-28-9-4-3-5-10-28/h3-21,25,33H,22-24,26H2,1-2H3,(H,39,41)
• InChIKey: YRGHKTUVMMOHMH-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 74.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide (CID 83274952) is N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide.

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

The canonical SMILES for N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide is COc1ccc(Cn2cc(C(CC(=O)NCc3ccco3)c3ccc(OCc4ccccc4)c(OC)c3)c3ccccc32)cc1.

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

The InChIKey is YRGHKTUVMMOHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O5/c1-42-30-17-14-27(15-18-30)24-40-25-34(32-12-6-7-13-35(32)40)33(22-38(41)39-23-31-11-8-20-44-31)29-16-19-36(37(21-29)43-2)45-26-28-9-4-3-5-10-28/h3-21,25,33H,22-24,26H2,1-2H3,(H,39,41).

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

N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide has a molecular weight of 600.72 g/mol, XLogP of 7.72, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-3-(3-methoxy-4-phenylmethoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 83274952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).