2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide

C46H55NO9 — CID 4293095

About 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide (PubChem CID 4293095) has the molecular formula C46H55NO9 and a molecular weight of 765.94 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide
• PubChem CID: 4293095
• Molecular Formula: C46H55NO9
• Molecular Weight: 765.94 g/mol
• Exact Mass: 765.39
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide
• SMILES: COc1ccc(CN(CC2(O)CCC3C45C=CC6(C=C4C(=O)c4ccco4)CC(O)CCC6(C)C5CCC32C)C(=O)Cc2ccc(OC)c(OC)c2)c(OC)c1
• InChI: InChI=1S/C46H55NO9/c1-42-16-13-31(48)25-44(42)19-20-46(33(26-44)41(50)35-8-7-21-56-35)38(42)14-17-43(2)39(46)15-18-45(43,51)28-47(27-30-10-11-32(52-3)24-36(30)54-5)40(49)23-29-9-12-34(53-4)37(22-29)55-6/h7-12,19-22,24,26,31,38-39,48,51H,13-18,23,25,27-28H2,1-6H3
• InChIKey: YCOPJRZWFPCPDF-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 127.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.94
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide (CID 4293095) is 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide is COc1ccc(CN(CC2(O)CCC3C45C=CC6(C=C4C(=O)c4ccco4)CC(O)CCC6(C)C5CCC32C)C(=O)Cc2ccc(OC)c(OC)c2)c(OC)c1.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide?

The InChIKey is YCOPJRZWFPCPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H55NO9/c1-42-16-13-31(48)25-44(42)19-20-46(33(26-44)41(50)35-8-7-21-56-35)38(42)14-17-43(2)39(46)15-18-45(43,51)28-47(27-30-10-11-32(52-3)24-36(30)54-5)40(49)23-29-9-12-34(53-4)37(22-29)55-6/h7-12,19-22,24,26,31,38-39,48,51H,13-18,23,25,27-28H2,1-6H3.

What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide?

2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide has a molecular weight of 765.94 g/mol, XLogP of 7.36, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]acetamide is sourced from PubChem (CID 4293095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).