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

C20H19NO4 — CID 6229314

IUPAC2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
SMILESCc1c(CC(=O)NCCc2ccccc2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C20H19NO4/c1-13-16-8-7-15(22)11-18(16)25-20(24)17(13)12-19(23)21-10-9-14-5-3-2-4-6-14/h2-8,11,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyFBHOQPSEXSIEEB-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.71
Rot. Bonds5

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

2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 6229314) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID6229314
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
SMILESCc1c(CC(=O)NCCc2ccccc2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C20H19NO4/c1-13-16-8-7-15(22)11-18(16)25-20(24)17(13)12-19(23)21-10-9-14-5-3-2-4-6-14/h2-8,11,22H,9-10,12H2,1H3,(H,21,23)
InChIKeyFBHOQPSEXSIEEB-UHFFFAOYSA-N
XLogP2.71
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6229285
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6228876
(2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
CID 5417121
N-(1-benzylpiperidin-1-ium-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 7597803
2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 4869246
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
N-[2-(4-fluorophenyl)ethyl]-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 4914330
2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetic acid
CID 5417130
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4975363
(2S,3R)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 5417125
N-[(2,4-dimethoxyphenyl)methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6236159

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide (CID 6229314) is 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide is Cc1c(CC(=O)NCCc2ccccc2)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is FBHOQPSEXSIEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13-16-8-7-15(22)11-18(16)25-20(24)17(13)12-19(23)21-10-9-14-5-3-2-4-6-14/h2-8,11,22H,9-10,12H2,1H3,(H,21,23).
What are the key properties of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide?
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 6229314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).