2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide

C21H21NO6 — CID 1413457

IUPAC2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
SMILESCOc1ccc(-c2oc3cc(C)cc(C)c3c(=O)c2OCC(N)=O)cc1OC
InChIInChI=1S/C21H21NO6/c1-11-7-12(2)18-16(8-11)28-20(21(19(18)24)27-10-17(22)23)13-5-6-14(25-3)15(9-13)26-4/h5-9H,10H2,1-4H3,(H2,22,23)
InChIKeyXHCCYBLPYKBEJZ-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.96
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide

2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide (PubChem CID 1413457) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
PubChem CID1413457
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
SMILESCOc1ccc(-c2oc3cc(C)cc(C)c3c(=O)c2OCC(N)=O)cc1OC
InChIInChI=1S/C21H21NO6/c1-11-7-12(2)18-16(8-11)28-20(21(19(18)24)27-10-17(22)23)13-5-6-14(25-3)15(9-13)26-4/h5-9H,10H2,1-4H3,(H2,22,23)
InChIKeyXHCCYBLPYKBEJZ-UHFFFAOYSA-N
XLogP2.96
TPSA100.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
CID 1413436
5,7-dimethyl-2-(4-methylphenyl)-3-(2-oxopropoxy)chromen-4-one
CID 1413433
2-(3,4-dimethoxyphenyl)-6,7-dimethyl-3-(2-oxopropoxy)chromen-4-one
CID 7742836
5,7-dimethyl-2-(4-methylphenyl)-3-(2-oxo-2-thiophen-2-ylethoxy)chromen-4-one
CID 1413434
N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 1413410
2-(3,4-dimethoxyphenyl)-3-ethoxy-5,7-dimethoxychromen-4-one
CID 97032110
2-(3,4-dimethoxyphenyl)-3-[2-(3,5-dimethylphenoxy)ethoxy]-6,7-dimethylchromen-4-one
CID 20999846
2-phenylethyl 2-[2-(3,4-dimethoxyphenyl)-6,8-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 1409463
2-(3,4-dimethoxyphenyl)-3-(3-hydroxypropoxy)-5,7-dimethoxychromen-4-one
CID 101179168
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
2-(3,4-dimethoxyphenyl)-7-(hydroxymethyl)-3,5-dimethoxychromen-4-one
CID 58133612
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 20999891

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide (CID 1413457) is 2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide is COc1ccc(-c2oc3cc(C)cc(C)c3c(=O)c2OCC(N)=O)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide?
The InChIKey is XHCCYBLPYKBEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-11-7-12(2)18-16(8-11)28-20(21(19(18)24)27-10-17(22)23)13-5-6-14(25-3)15(9-13)26-4/h5-9H,10H2,1-4H3,(H2,22,23).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide?
2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide has a molecular weight of 383.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide is sourced from PubChem (CID 1413457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).