N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide

C30H31NO6 — CID 1409332

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide (PubChem CID 1409332) has the molecular formula C30H31NO6 and a molecular weight of 501.58 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
• PubChem CID: 1409332
• Molecular Formula: C30H31NO6
• Molecular Weight: 501.58 g/mol
• Exact Mass: 501.22
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
• SMILES: COc1ccc(CCNC(=O)COc2c(-c3ccc(C)cc3)oc3c(C)cc(C)cc3c2=O)cc1OC
• InChI: InChI=1S/C30H31NO6/c1-18-6-9-22(10-7-18)29-30(27(33)23-15-19(2)14-20(3)28(23)37-29)36-17-26(32)31-13-12-21-8-11-24(34-4)25(16-21)35-5/h6-11,14-16H,12-13,17H2,1-5H3,(H,31,32)
• InChIKey: GZIAMZFPGKRXGV-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 87.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.58
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide (CID 1409332) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide is COc1ccc(CCNC(=O)COc2c(-c3ccc(C)cc3)oc3c(C)cc(C)cc3c2=O)cc1OC.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide?

The InChIKey is GZIAMZFPGKRXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO6/c1-18-6-9-22(10-7-18)29-30(27(33)23-15-19(2)14-20(3)28(23)37-29)36-17-26(32)31-13-12-21-8-11-24(34-4)25(16-21)35-5/h6-11,14-16H,12-13,17H2,1-5H3,(H,31,32).

What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide?

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide has a molecular weight of 501.58 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6,8-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide is sourced from PubChem (CID 1409332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).