2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

C28H24N2O6 — CID 2004690

About 2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide

2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (PubChem CID 2004690) has the molecular formula C28H24N2O6 and a molecular weight of 484.51 g/mol. Its IUPAC name is 2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
• PubChem CID: 2004690
• Molecular Formula: C28H24N2O6
• Molecular Weight: 484.51 g/mol
• Exact Mass: 484.16
• IUPAC Name: 2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide
• SMILES: COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OCC(N)=O)cc2)cc1
• InChI: InChI=1S/C28H24N2O6/c1-34-19-10-6-17(7-11-19)14-15-30-25(18-8-12-20(13-9-18)35-16-23(29)31)24-26(32)21-4-2-3-5-22(21)36-27(24)28(30)33/h2-13,25H,14-16H2,1H3,(H2,29,31)/t25-/m1/s1
• InChIKey: CQIWASINIGOKLO-RUZDIDTESA-N
• XLogP: 3.45
• TPSA: 112.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.51
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide (CID 2004690) is 2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide.

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

The canonical SMILES for 2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OCC(N)=O)cc2)cc1.

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

The InChIKey is CQIWASINIGOKLO-RUZDIDTESA-N. The full InChI is InChI=1S/C28H24N2O6/c1-34-19-10-6-17(7-11-19)14-15-30-25(18-8-12-20(13-9-18)35-16-23(29)31)24-26(32)21-4-2-3-5-22(21)36-27(24)28(30)33/h2-13,25H,14-16H2,1H3,(H2,29,31)/t25-/m1/s1.

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

2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide has a molecular weight of 484.51 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(1R)-2-[2-(4-methoxyphenyl)ethyl]-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]phenoxy]acetamide is sourced from PubChem (CID 2004690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).