2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide

C22H22N2O8 — CID 62705146

IUPAC2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2cc3oc(=O)c(NC(C)=O)cc3cc2OC)cc1OC
InChIInChI=1S/C22H22N2O8/c1-12(25)23-15-7-13-8-18(29-3)20(10-17(13)32-22(15)27)31-11-21(26)24-14-5-6-16(28-2)19(9-14)30-4/h5-10H,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyFLROUTXCGQARMR-UHFFFAOYSA-N
MW442.42 g/mol
LogP2.79
Rot. Bonds8

About 2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide

2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 62705146) has the molecular formula C22H22N2O8 and a molecular weight of 442.42 g/mol. Its IUPAC name is 2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID62705146
Molecular FormulaC22H22N2O8
Molecular Weight442.42 g/mol
Exact Mass442.14
IUPAC Name2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2cc3oc(=O)c(NC(C)=O)cc3cc2OC)cc1OC
InChIInChI=1S/C22H22N2O8/c1-12(25)23-15-7-13-8-18(29-3)20(10-17(13)32-22(15)27)31-11-21(26)24-14-5-6-16(28-2)19(9-14)30-4/h5-10H,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyFLROUTXCGQARMR-UHFFFAOYSA-N
XLogP2.79
TPSA125.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methoxy-2-oxochromen-7-yl)oxy-N-phenylacetamide
CID 62707255
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7954004
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
N-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086700
N-[6-methoxy-7-[5-[(5-oxido-1,2,5-oxadiazol-5-ium-3-yl)oxy]pentoxy]-2-oxochromen-3-yl]acetamide
CID 162663123
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 6227079
N-(3,4-dimethoxyphenyl)-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763592
N-(6-chloro-2-oxochromen-3-yl)-3,4-dimethoxybenzamide
CID 1208241
2-(4-bromo-2,6-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 19175722

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide (CID 62705146) is 2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)COc2cc3oc(=O)c(NC(C)=O)cc3cc2OC)cc1OC.
What is the InChIKey of 2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is FLROUTXCGQARMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O8/c1-12(25)23-15-7-13-8-18(29-3)20(10-17(13)32-22(15)27)31-11-21(26)24-14-5-6-16(28-2)19(9-14)30-4/h5-10H,11H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide?
2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 442.42 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 62705146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).