N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide

C20H17NO5 — CID 6226173

IUPACN-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)cc1
InChIInChI=1S/C20H17NO5/c1-11-16-8-7-15(23)9-18(16)26-20(25)17(11)10-19(24)21-14-5-3-13(4-6-14)12(2)22/h3-9,23H,10H2,1-2H3,(H,21,24)
InChIKeyDNYAZAHWOVKRCJ-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.19
Rot. Bonds4

About N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide

N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide (PubChem CID 6226173) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
PubChem CID6226173
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC NameN-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)cc1
InChIInChI=1S/C20H17NO5/c1-11-16-8-7-15(23)9-18(16)26-20(25)17(11)10-19(24)21-14-5-3-13(4-6-14)12(2)22/h3-9,23H,10H2,1-2H3,(H,21,24)
InChIKeyDNYAZAHWOVKRCJ-UHFFFAOYSA-N
XLogP3.19
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide (CID 6226173) is N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide is CC(=O)c1ccc(NC(=O)Cc2c(C)c3ccc(O)cc3oc2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
The InChIKey is DNYAZAHWOVKRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-11-16-8-7-15(23)9-18(16)26-20(25)17(11)10-19(24)21-14-5-3-13(4-6-14)12(2)22/h3-9,23H,10H2,1-2H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide?
N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide has a molecular weight of 351.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide is sourced from PubChem (CID 6226173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).