2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide

C20H19NO4 — CID 7700509

IUPAC2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)Nc3ccccc3)ccc12
InChIInChI=1S/C20H19NO4/c1-13(2)17-11-20(23)25-18-10-15(8-9-16(17)18)24-12-19(22)21-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyXDAMBWSRIKNRTP-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.93
Rot. Bonds5

About 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide

2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide (PubChem CID 7700509) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
PubChem CID7700509
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
SMILESCC(C)c1cc(=O)oc2cc(OCC(=O)Nc3ccccc3)ccc12
InChIInChI=1S/C20H19NO4/c1-13(2)17-11-20(23)25-18-10-15(8-9-16(17)18)24-12-19(22)21-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyXDAMBWSRIKNRTP-UHFFFAOYSA-N
XLogP3.93
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.93
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

N-(3-bromophenyl)-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700484
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 29433605
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-(2-phenylphenyl)acetamide
CID 7700599
N-methyl-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide
CID 29433424
N-[(4-fluorophenyl)methyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700579
N-(2-methyl-6-propan-2-ylphenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2185509
N-[(1R,2R)-2-methylcyclohexyl]-2-(2-oxo-4-propan-2-ylchromen-7-yl)oxyacetamide
CID 7700608
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-phenylacetamide
CID 7714067
N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-(4-methoxyphenyl)-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
CID 44587589
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-ethylphenyl)acetamide
CID 7699638
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide?
The IUPAC name of 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide (CID 7700509) is 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide.
What is the SMILES notation for 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide?
The canonical SMILES for 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide is CC(C)c1cc(=O)oc2cc(OCC(=O)Nc3ccccc3)ccc12.
What is the InChIKey of 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide?
The InChIKey is XDAMBWSRIKNRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13(2)17-11-20(23)25-18-10-15(8-9-16(17)18)24-12-19(22)21-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide?
2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide has a molecular weight of 337.38 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-propan-2-ylchromen-7-yl)oxy-N-phenylacetamide is sourced from PubChem (CID 7700509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).