5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide

C32H38N2O6 — CID 10437442

About 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide

5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide (PubChem CID 10437442) has the molecular formula C32H38N2O6 and a molecular weight of 546.66 g/mol. Its IUPAC name is 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide.

Molecular Properties

• Compound Name: 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide
• PubChem CID: 10437442
• Molecular Formula: C32H38N2O6
• Molecular Weight: 546.66 g/mol
• Exact Mass: 546.27
• IUPAC Name: 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide
• SMILES: COc1ccc(CCNC(=O)CCCC(=O)N2CCc3cc(OC)c(OC)cc3C2c2ccccc2)cc1OC
• InChI: InChI=1S/C32H38N2O6/c1-37-26-14-13-22(19-27(26)38-2)15-17-33-30(35)11-8-12-31(36)34-18-16-24-20-28(39-3)29(40-4)21-25(24)32(34)23-9-6-5-7-10-23/h5-7,9-10,13-14,19-21,32H,8,11-12,15-18H2,1-4H3,(H,33,35)
• InChIKey: DHONOYOJZSOZGT-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.66
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide?

The IUPAC name of 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide (CID 10437442) is 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide.

What is the SMILES notation for 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide?

The canonical SMILES for 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide is COc1ccc(CCNC(=O)CCCC(=O)N2CCc3cc(OC)c(OC)cc3C2c2ccccc2)cc1OC.

What is the InChIKey of 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide?

The InChIKey is DHONOYOJZSOZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O6/c1-37-26-14-13-22(19-27(26)38-2)15-17-33-30(35)11-8-12-31(36)34-18-16-24-20-28(39-3)29(40-4)21-25(24)32(34)23-9-6-5-7-10-23/h5-7,9-10,13-14,19-21,32H,8,11-12,15-18H2,1-4H3,(H,33,35).

What are the key properties of 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide?

5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide has a molecular weight of 546.66 g/mol, XLogP of 4.72, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopentanamide is sourced from PubChem (CID 10437442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).