1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide

C34H36N2O9 — CID 10211159

About 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide

1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide (PubChem CID 10211159) has the molecular formula C34H36N2O9 and a molecular weight of 616.67 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide
• PubChem CID: 10211159
• Molecular Formula: C34H36N2O9
• Molecular Weight: 616.67 g/mol
• Exact Mass: 616.24
• IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide
• SMILES: COc1ccc(CCn2c(C(=O)N(C)C)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC
• InChI: InChI=1S/C34H36N2O9/c1-35(2)33(37)31-29(20-10-12-23(40-4)26(16-20)42-6)30-21-17-27(43-7)28(44-8)18-24(21)45-34(38)32(30)36(31)14-13-19-9-11-22(39-3)25(15-19)41-5/h9-12,15-18H,13-14H2,1-8H3
• InChIKey: IRDLVLFTTZNICD-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 110.83 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.67
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide?

The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide (CID 10211159) is 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide.

What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide?

The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide is COc1ccc(CCn2c(C(=O)N(C)C)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC.

What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide?

The InChIKey is IRDLVLFTTZNICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O9/c1-35(2)33(37)31-29(20-10-12-23(40-4)26(16-20)42-6)30-21-17-27(43-7)28(44-8)18-24(21)45-34(38)32(30)36(31)14-13-19-9-11-22(39-3)25(15-19)41-5/h9-12,15-18H,13-14H2,1-8H3.

What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide?

1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide has a molecular weight of 616.67 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-7,8-dimethoxy-N,N-dimethyl-4-oxochromeno[3,4-b]pyrrole-2-carboxamide is sourced from PubChem (CID 10211159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).