2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide

C23H21NO5 — CID 166318510

IUPAC2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide
SMILESCc1c(CC(=O)Nc2ccc(C3CCC(=O)C3)cc2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C23H21NO5/c1-13-19-9-8-18(26)11-21(19)29-23(28)20(13)12-22(27)24-16-5-2-14(3-6-16)15-4-7-17(25)10-15/h2-3,5-6,8-9,11,15,26H,4,7,10,12H2,1H3,(H,24,27)
InChIKeyMCYBTKGKKOVIEN-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.82
Rot. Bonds4

About 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide

2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide (PubChem CID 166318510) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide
PubChem CID166318510
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide
SMILESCc1c(CC(=O)Nc2ccc(C3CCC(=O)C3)cc2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C23H21NO5/c1-13-19-9-8-18(26)11-21(19)29-23(28)20(13)12-22(27)24-16-5-2-14(3-6-16)15-4-7-17(25)10-15/h2-3,5-6,8-9,11,15,26H,4,7,10,12H2,1H3,(H,24,27)
InChIKeyMCYBTKGKKOVIEN-UHFFFAOYSA-N
XLogP3.82
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-oxo-2,3-dihydrochromen-6-yl)acetamide
CID 167922839
ethyl 3-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]benzoate
CID 6226439
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
(2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
CID 5417121
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-morpholin-4-ylethyl)acetamide
CID 6228876
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
N-(1-benzylpiperidin-1-ium-4-yl)-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 7597803
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 6229314
(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-[4-(3-oxocyclopentyl)phenyl]acetamide?
The IUPAC name of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide (CID 166318510) is 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide.
What is the SMILES notation for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide?
The canonical SMILES for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide is Cc1c(CC(=O)Nc2ccc(C3CCC(=O)C3)cc2)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide?
The InChIKey is MCYBTKGKKOVIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-13-19-9-8-18(26)11-21(19)29-23(28)20(13)12-22(27)24-16-5-2-14(3-6-16)15-4-7-17(25)10-15/h2-3,5-6,8-9,11,15,26H,4,7,10,12H2,1H3,(H,24,27).
What are the key properties of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide?
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide has a molecular weight of 391.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[4-(3-oxocyclopentyl)phenyl]acetamide is sourced from PubChem (CID 166318510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).