2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide

C21H17NO6 — CID 167922839

IUPAC2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide
SMILESCc1c(CC(=O)Nc2ccc3c(c2)C(=O)CCO3)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C21H17NO6/c1-11-14-4-3-13(23)9-19(14)28-21(26)15(11)10-20(25)22-12-2-5-18-16(8-12)17(24)6-7-27-18/h2-5,8-9,23H,6-7,10H2,1H3,(H,22,25)
InChIKeyUUIOLJPDFOLHGS-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.95
Rot. Bonds3

About 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide

2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide (PubChem CID 167922839) has the molecular formula C21H17NO6 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide.

Molecular Properties

Compound Name2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide
PubChem CID167922839
Molecular FormulaC21H17NO6
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide
SMILESCc1c(CC(=O)Nc2ccc3c(c2)C(=O)CCO3)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C21H17NO6/c1-11-14-4-3-13(23)9-19(14)28-21(26)15(11)10-20(25)22-12-2-5-18-16(8-12)17(24)6-7-27-18/h2-5,8-9,23H,6-7,10H2,1H3,(H,22,25)
InChIKeyUUIOLJPDFOLHGS-UHFFFAOYSA-N
XLogP2.95
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6226173
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide
CID 166318510
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6228876
ethyl 3-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]benzoate
CID 6226439
(2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
CID 5417121
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 6229314
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 91637612
(2,5-dioxopyrrolidin-1-yl) 2-[7-[(2-cyanoacetyl)amino]-4-methyl-2-oxochromen-3-yl]acetate
CID 168521162
N-[2-(2-fluorophenyl)ethyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6229285
N-(3,4-dimethoxyphenyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
CID 4869209

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide?
The IUPAC name of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide (CID 167922839) is 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide.
What is the SMILES notation for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide?
The canonical SMILES for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide is Cc1c(CC(=O)Nc2ccc3c(c2)C(=O)CCO3)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide?
The InChIKey is UUIOLJPDFOLHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO6/c1-11-14-4-3-13(23)9-19(14)28-21(26)15(11)10-20(25)22-12-2-5-18-16(8-12)17(24)6-7-27-18/h2-5,8-9,23H,6-7,10H2,1H3,(H,22,25).
What are the key properties of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide?
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide has a molecular weight of 379.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide is sourced from PubChem (CID 167922839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).