2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide

C13H13NO4 — CID 767870

IUPAC2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(OCC(N)=O)cc2oc(=O)cc(C)c12
InChIInChI=1S/C13H13NO4/c1-7-3-9(17-6-11(14)15)5-10-13(7)8(2)4-12(16)18-10/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyGHZGGMLFVHEWTP-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.27
Rot. Bonds3

About 2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide

2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 767870) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID767870
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(OCC(N)=O)cc2oc(=O)cc(C)c12
InChIInChI=1S/C13H13NO4/c1-7-3-9(17-6-11(14)15)5-10-13(7)8(2)4-12(16)18-10/h3-5H,6H2,1-2H3,(H2,14,15)
InChIKeyGHZGGMLFVHEWTP-UHFFFAOYSA-N
XLogP1.27
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.27
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

2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid
CID 677583
(2-amino-2-oxoethyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844229
2-[5-(2-amino-2-oxoethoxy)-2-oxo-4-phenylchromen-7-yl]oxyacetamide
CID 166604349
2-(4-hydroxy-2-oxochromen-6-yl)oxyacetamide
CID 91257368
2-[1-(2-amino-2-oxoethoxy)-6-oxobenzo[c]chromen-3-yl]oxyacetamide
CID 726147
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
2-(4-methyl-2-oxochromen-8-yl)oxyacetamide
CID 87996295
5-methoxy-4-methyl-7-prop-2-enoxychromen-2-one
CID 12900454
[(2R)-1-amino-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844178
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
(4-methyl-2-oxochromen-7-yl) 2-(3,5-dimethylphenoxy)acetate
CID 7727595

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of 2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide (CID 767870) is 2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for 2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for 2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(OCC(N)=O)cc2oc(=O)cc(C)c12.
What is the InChIKey of 2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is GHZGGMLFVHEWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-7-3-9(17-6-11(14)15)5-10-13(7)8(2)4-12(16)18-10/h3-5H,6H2,1-2H3,(H2,14,15).
What are the key properties of 2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide?
2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 247.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 767870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).