2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide

C29H29NO7 — CID 1409490

About 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide

2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide (PubChem CID 1409490) has the molecular formula C29H29NO7 and a molecular weight of 503.55 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide
• PubChem CID: 1409490
• Molecular Formula: C29H29NO7
• Molecular Weight: 503.55 g/mol
• Exact Mass: 503.19
• IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide
• SMILES: CCOc1ccc(NC(=O)COc2c(-c3ccc(OC)c(OC)c3)oc3c(C)cc(C)cc3c2=O)cc1
• InChI: InChI=1S/C29H29NO7/c1-6-35-21-10-8-20(9-11-21)30-25(31)16-36-29-26(32)22-14-17(2)13-18(3)27(22)37-28(29)19-7-12-23(33-4)24(15-19)34-5/h7-15H,6,16H2,1-5H3,(H,30,31)
• InChIKey: DYPHSOLWGBOPMQ-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 96.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.55
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide?

The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide (CID 1409490) is 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide.

What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide?

The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)COc2c(-c3ccc(OC)c(OC)c3)oc3c(C)cc(C)cc3c2=O)cc1.

What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide?

The InChIKey is DYPHSOLWGBOPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO7/c1-6-35-21-10-8-20(9-11-21)30-25(31)16-36-29-26(32)22-14-17(2)13-18(3)27(22)37-28(29)19-7-12-23(33-4)24(15-19)34-5/h7-15H,6,16H2,1-5H3,(H,30,31).

What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide?

2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide has a molecular weight of 503.55 g/mol, XLogP of 5.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxy-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 1409490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).