3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide

C32H32N2O5 — CID 71957654

About 3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide

3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide (PubChem CID 71957654) has the molecular formula C32H32N2O5 and a molecular weight of 524.62 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
• PubChem CID: 71957654
• Molecular Formula: C32H32N2O5
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.23
• IUPAC Name: 3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide
• SMILES: COc1ccc(Cn2cc(C(CC(=O)NCc3ccco3)c3cc(OC)cc(OC)c3)c3ccccc32)cc1
• InChI: InChI=1S/C32H32N2O5/c1-36-24-12-10-22(11-13-24)20-34-21-30(28-8-4-5-9-31(28)34)29(18-32(35)33-19-25-7-6-14-39-25)23-15-26(37-2)17-27(16-23)38-3/h4-17,21,29H,18-20H2,1-3H3,(H,33,35)
• InChIKey: OXHFVAMSGXSFNS-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 74.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide?

The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide (CID 71957654) is 3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide.

What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide?

The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide is COc1ccc(Cn2cc(C(CC(=O)NCc3ccco3)c3cc(OC)cc(OC)c3)c3ccccc32)cc1.

What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide?

The InChIKey is OXHFVAMSGXSFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O5/c1-36-24-12-10-22(11-13-24)20-34-21-30(28-8-4-5-9-31(28)34)29(18-32(35)33-19-25-7-6-14-39-25)23-15-26(37-2)17-27(16-23)38-3/h4-17,21,29H,18-20H2,1-3H3,(H,33,35).

What are the key properties of 3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide?

3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide has a molecular weight of 524.62 g/mol, XLogP of 6.15, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]propanamide is sourced from PubChem (CID 71957654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).