2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide

C17H13NO4 — CID 7198273

IUPAC2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESNC(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C17H13NO4/c18-16(19)10-21-13-7-6-12-8-14(11-4-2-1-3-5-11)17(20)22-15(12)9-13/h1-9H,10H2,(H2,18,19)
InChIKeyRXQLNZPEAWRAJD-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.32
Rot. Bonds4

About 2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide

2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide (PubChem CID 7198273) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound Name2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide
PubChem CID7198273
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide
SMILESNC(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1
InChIInChI=1S/C17H13NO4/c18-16(19)10-21-13-7-6-12-8-14(11-4-2-1-3-5-11)17(20)22-15(12)9-13/h1-9H,10H2,(H2,18,19)
InChIKeyRXQLNZPEAWRAJD-UHFFFAOYSA-N
XLogP2.32
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.32
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

3-Benzoyl-7-methoxycoumarin
CID 342533
7-Hydroxy-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-2-one
CID 5357627
7-Hydroxy-3-(4'-methoxyphenyl)coumarin
CID 5393174
6-Oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl benzoate
CID 2235896
2-((3-Benzyl-4-methyl-2-oxo-2H-chromen-7-YL)oxy)acetamide
CID 744830
4,8-dimethyl-7-((2-oxocyclohexyl)oxy)-2H-chromen-2-one
CID 4297278
Acetic acid, ((4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)-, hydrazide
CID 155293
7-(Benzyloxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
CID 561354
2-(3,4-Dimethyl-2-oxochromen-7-yl)oxyacetohydrazide
CID 71457241
N,N-diethyl-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
CID 988851
4-[7-(acetyloxy)-2-oxo-2H-chromen-3-yl]phenyl acetate
CID 384025
7-Methoxy-3-phenylcoumarin
CID 688967

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of 2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide (CID 7198273) is 2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for 2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for 2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide is NC(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1.
What is the InChIKey of 2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide?
The InChIKey is RXQLNZPEAWRAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c18-16(19)10-21-13-7-6-12-8-14(11-4-2-1-3-5-11)17(20)22-15(12)9-13/h1-9H,10H2,(H2,18,19).
What are the key properties of 2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide?
2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide has a molecular weight of 295.29 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 7198273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).