2-(4-methyl-2-oxochromen-8-yl)oxyacetamide

C12H11NO4 — CID 87996295

IUPAC2-(4-methyl-2-oxochromen-8-yl)oxyacetamide
SMILESCc1cc(=O)oc2c(OCC(N)=O)cccc12
InChIInChI=1S/C12H11NO4/c1-7-5-11(15)17-12-8(7)3-2-4-9(12)16-6-10(13)14/h2-5H,6H2,1H3,(H2,13,14)
InChIKeyBSVZHOKWKNBOJV-UHFFFAOYSA-N
MW233.22 g/mol
LogP0.97
Rot. Bonds3

About 2-(4-methyl-2-oxochromen-8-yl)oxyacetamide

2-(4-methyl-2-oxochromen-8-yl)oxyacetamide (PubChem CID 87996295) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-8-yl)oxyacetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-8-yl)oxyacetamide
PubChem CID87996295
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-(4-methyl-2-oxochromen-8-yl)oxyacetamide
SMILESCc1cc(=O)oc2c(OCC(N)=O)cccc12
InChIInChI=1S/C12H11NO4/c1-7-5-11(15)17-12-8(7)3-2-4-9(12)16-6-10(13)14/h2-5H,6H2,1H3,(H2,13,14)
InChIKeyBSVZHOKWKNBOJV-UHFFFAOYSA-N
XLogP0.97
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 50.97
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

4-methyl-8-propan-2-yloxychromen-2-one
CID 144546530
2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
CID 770817
4-methyl-8-phenoxychromen-2-one
CID 86228952
8-iodo-4-methylchromen-2-one
CID 130067017
8-iodo-4-methyl-7-(2-oxopropoxy)chromen-2-one
CID 1369817
benzyl 2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 974991
(4,8-dimethyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 8781718
2-[4-(7-methoxy-1-benzofuran-2-yl)-7-methyl-2-oxochromen-6-yl]oxyacetamide
CID 7295581
(6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(2-amino-2-oxoethoxy)benzoate
CID 46641278
2-(4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(1-phenylethyl)acetamide
CID 18202496
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetamide;hydrate
CID 51059911
2-hydroxy-N-(4-methyl-2-oxochromen-8-yl)acetamide
CID 91296883

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-8-yl)oxyacetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-8-yl)oxyacetamide (CID 87996295) is 2-(4-methyl-2-oxochromen-8-yl)oxyacetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-8-yl)oxyacetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-8-yl)oxyacetamide is Cc1cc(=O)oc2c(OCC(N)=O)cccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-8-yl)oxyacetamide?
The InChIKey is BSVZHOKWKNBOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7-5-11(15)17-12-8(7)3-2-4-9(12)16-6-10(13)14/h2-5H,6H2,1H3,(H2,13,14).
What are the key properties of 2-(4-methyl-2-oxochromen-8-yl)oxyacetamide?
2-(4-methyl-2-oxochromen-8-yl)oxyacetamide has a molecular weight of 233.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-8-yl)oxyacetamide is sourced from PubChem (CID 87996295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).