(2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

C28H24N2O8 — CID 97424864

About (2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

(2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (PubChem CID 97424864) has the molecular formula C28H24N2O8 and a molecular weight of 516.51 g/mol. Its IUPAC name is (2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.

Molecular Properties

• Compound Name: (2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
• PubChem CID: 97424864
• Molecular Formula: C28H24N2O8
• Molecular Weight: 516.51 g/mol
• Exact Mass: 516.15
• IUPAC Name: (2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
• SMILES: COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OC)c(OCC(N)=O)c2)cc1
• InChI: InChI=1S/C28H24N2O8/c1-34-17-10-8-16(9-11-17)30-27(32)26-23(15-7-12-20(35-2)21(13-15)36-14-22(29)31)24-25(38-26)18-5-3-4-6-19(18)37-28(24)33/h3-13,23,26H,14H2,1-2H3,(H2,29,31)(H,30,32)/t23-,26+/m0/s1
• InChIKey: GYTYRXXDTICQRB-JYFHCDHNSA-N
• XLogP: 3.21
• TPSA: 139.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.51
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?

The IUPAC name of (2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (CID 97424864) is (2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.

What is the SMILES notation for (2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?

The canonical SMILES for (2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@@H]2c2ccc(OC)c(OCC(N)=O)c2)cc1.

What is the InChIKey of (2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?

The InChIKey is GYTYRXXDTICQRB-JYFHCDHNSA-N. The full InChI is InChI=1S/C28H24N2O8/c1-34-17-10-8-16(9-11-17)30-27(32)26-23(15-7-12-20(35-2)21(13-15)36-14-22(29)31)24-25(38-26)18-5-3-4-6-19(18)37-28(24)33/h3-13,23,26H,14H2,1-2H3,(H2,29,31)(H,30,32)/t23-,26+/m0/s1.

What are the key properties of (2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?

(2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide has a molecular weight of 516.51 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 97424864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).