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

C20H17NO4 — CID 41180290

IUPACN-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2cc(=O)oc3cc(C)ccc23)c1
InChIInChI=1S/C20H17NO4/c1-12-6-7-17-15(11-20(24)25-18(17)8-12)10-19(23)21-16-5-3-4-14(9-16)13(2)22/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyJWHGWCHZDSZELF-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.49
Rot. Bonds4

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

N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide (PubChem CID 41180290) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
PubChem CID41180290
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC NameN-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
SMILESCC(=O)c1cccc(NC(=O)Cc2cc(=O)oc3cc(C)ccc23)c1
InChIInChI=1S/C20H17NO4/c1-12-6-7-17-15(11-20(24)25-18(17)8-12)10-19(23)21-16-5-3-4-14(9-16)13(2)22/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKeyJWHGWCHZDSZELF-UHFFFAOYSA-N
XLogP3.49
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7-methyl-2-oxochromen-4-yl)methyl 3-acetamidobenzoate
CID 2582002
N-(3-acetylphenyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 18872372
methyl 3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]benzoate
CID 2676406
2-(6-methyl-1-benzofuran-3-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 17456098
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355
2-(7-methyl-2-oxochromen-4-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 41126634
N-(2-ethoxyphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180282
(7-methyl-2-oxochromen-4-yl)methyl 2-(3-acetylphenoxy)acetate
CID 7902974
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
N-(3-ethylphenyl)-2-[4-[(7-methyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]acetamide
CID 17251023
7-methyl-4-(methylaminomethyl)chromen-2-one
CID 27153679
N-(3-acetylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 7770634

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide (CID 41180290) is N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide is CC(=O)c1cccc(NC(=O)Cc2cc(=O)oc3cc(C)ccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide?
The InChIKey is JWHGWCHZDSZELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-12-6-7-17-15(11-20(24)25-18(17)8-12)10-19(23)21-16-5-3-4-14(9-16)13(2)22/h3-9,11H,10H2,1-2H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide?
N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide has a molecular weight of 335.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide is sourced from PubChem (CID 41180290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).