2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide

C20H19NO7 — CID 6227079

IUPAC2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(C)c3c(O)cc(O)cc3oc2=O)cc1OC
InChIInChI=1S/C20H19NO7/c1-10-13(20(25)28-17-8-12(22)7-14(23)19(10)17)9-18(24)21-11-4-5-15(26-2)16(6-11)27-3/h4-8,22-23H,9H2,1-3H3,(H,21,24)
InChIKeyIVKCOGALRXLHRY-UHFFFAOYSA-N
MW385.37 g/mol
LogP2.71
Rot. Bonds5

About 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide

2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 6227079) has the molecular formula C20H19NO7 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID6227079
Molecular FormulaC20H19NO7
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Name2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2c(C)c3c(O)cc(O)cc3oc2=O)cc1OC
InChIInChI=1S/C20H19NO7/c1-10-13(20(25)28-17-8-12(22)7-14(23)19(10)17)9-18(24)21-11-4-5-15(26-2)16(6-11)27-3/h4-8,22-23H,9H2,1-3H3,(H,21,24)
InChIKeyIVKCOGALRXLHRY-UHFFFAOYSA-N
XLogP2.71
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 6226446
N-(2-chlorophenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236971
N-(3-chloro-2-methylphenyl)-2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6237529
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(4-fluorophenyl)acetamide
CID 4971132
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-methylpropyl)acetamide
CID 6221816
2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 6226280
N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
CID 4869209
N-(3-chlorophenyl)-2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4970017
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(1-phenylethyl)acetamide
CID 6221957
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 4837385
2-(3-acetamido-6-methoxy-2-oxochromen-7-yl)oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 62705146

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide (CID 6227079) is 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cc2c(C)c3c(O)cc(O)cc3oc2=O)cc1OC.
What is the InChIKey of 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is IVKCOGALRXLHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO7/c1-10-13(20(25)28-17-8-12(22)7-14(23)19(10)17)9-18(24)21-11-4-5-15(26-2)16(6-11)27-3/h4-8,22-23H,9H2,1-3H3,(H,21,24).
What are the key properties of 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide?
2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 385.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 6227079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).