2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

C26H27N3O6 — CID 39865672

About 2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (PubChem CID 39865672) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
• PubChem CID: 39865672
• Molecular Formula: C26H27N3O6
• Molecular Weight: 477.52 g/mol
• Exact Mass: 477.19
• IUPAC Name: 2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
• SMILES: NC(=O)COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
• InChI: InChI=1S/C26H27N3O6/c27-21(30)16-34-18-8-6-17(7-9-18)23-22-24(31)19-4-1-2-5-20(19)35-25(22)26(32)29(23)11-3-10-28-12-14-33-15-13-28/h1-2,4-9,23H,3,10-16H2,(H2,27,30)/t23-/m0/s1
• InChIKey: UOQPIYCPNIULRM-QHCPKHFHSA-N
• XLogP: 1.92
• TPSA: 115.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.52
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?

The IUPAC name of 2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (CID 39865672) is 2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

What is the SMILES notation for 2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?

The canonical SMILES for 2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is NC(=O)COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)cc1.

What is the InChIKey of 2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?

The InChIKey is UOQPIYCPNIULRM-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27N3O6/c27-21(30)16-34-18-8-6-17(7-9-18)23-22-24(31)19-4-1-2-5-20(19)35-25(22)26(32)29(23)11-3-10-28-12-14-33-15-13-28/h1-2,4-9,23H,3,10-16H2,(H2,27,30)/t23-/m0/s1.

What are the key properties of 2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide?

2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide has a molecular weight of 477.52 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(1S)-2-(3-morpholin-4-ylpropyl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is sourced from PubChem (CID 39865672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).