2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

C26H28N2O6 — CID 3730048

About 2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (PubChem CID 3730048) has the molecular formula C26H28N2O6 and a molecular weight of 464.52 g/mol. Its IUPAC name is 2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
• PubChem CID: 3730048
• Molecular Formula: C26H28N2O6
• Molecular Weight: 464.52 g/mol
• Exact Mass: 464.19
• IUPAC Name: 2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(OCC(N)=O)cc1)N(CCCOC(C)C)C3=O
• InChI: InChI=1S/C26H28N2O6/c1-15(2)32-12-4-11-28-23(17-6-8-18(9-7-17)33-14-21(27)29)22-24(30)19-13-16(3)5-10-20(19)34-25(22)26(28)31/h5-10,13,15,23H,4,11-12,14H2,1-3H3,(H2,27,29)
• InChIKey: OAAZOHWEVAUQST-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 112.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.52
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
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 2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?

The IUPAC name of 2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (CID 3730048) is 2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

What is the SMILES notation for 2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?

The canonical SMILES for 2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(OCC(N)=O)cc1)N(CCCOC(C)C)C3=O.

What is the InChIKey of 2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?

The InChIKey is OAAZOHWEVAUQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O6/c1-15(2)32-12-4-11-28-23(17-6-8-18(9-7-17)33-14-21(27)29)22-24(30)19-13-16(3)5-10-20(19)34-25(22)26(28)31/h5-10,13,15,23H,4,11-12,14H2,1-3H3,(H2,27,29).

What are the key properties of 2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?

2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide has a molecular weight of 464.52 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-methyl-3,9-dioxo-2-(3-propan-2-yloxypropyl)-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is sourced from PubChem (CID 3730048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).