1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H37NO6 — CID 19108997

About 1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 19108997) has the molecular formula C30H37NO6 and a molecular weight of 507.63 g/mol. Its IUPAC name is 1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 19108997
• Molecular Formula: C30H37NO6
• Molecular Weight: 507.63 g/mol
• Exact Mass: 507.26
• IUPAC Name: 1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CCCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCOC(C)C)cc1OCC
• InChI: InChI=1S/C30H37NO6/c1-7-13-36-22-11-10-21(17-23(22)34-8-2)27-26-28(32)25-20(6)15-19(5)16-24(25)37-29(26)30(33)31(27)12-9-14-35-18(3)4/h10-11,15-18,27H,7-9,12-14H2,1-6H3
• InChIKey: VWRJRCAFDQQTOM-UHFFFAOYSA-N
• XLogP: 5.96
• TPSA: 78.21 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.63
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 19108997) is 1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCCOc1ccc(C2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCOC(C)C)cc1OCC.

What is the InChIKey of 1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is VWRJRCAFDQQTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37NO6/c1-7-13-36-22-11-10-21(17-23(22)34-8-2)27-26-28(32)25-20(6)15-19(5)16-24(25)37-29(26)30(33)31(27)12-9-14-35-18(3)4/h10-11,15-18,27H,7-9,12-14H2,1-6H3.

What are the key properties of 1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 507.63 g/mol, XLogP of 5.96, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethoxy-4-propoxyphenyl)-6,8-dimethyl-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 19108997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).