(4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate

C20H17NO6 — CID 18870058

IUPAC(4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate
SMILESCC(=O)Nc1cccc(OCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C20H17NO6/c1-12-8-19(23)27-18-10-16(6-7-17(12)18)26-20(24)11-25-15-5-3-4-14(9-15)21-13(2)22/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyIMFVCMBKZSOETQ-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.04
Rot. Bonds5

About (4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate

(4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate (PubChem CID 18870058) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is (4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate.

Molecular Properties

Compound Name(4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate
PubChem CID18870058
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name(4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate
SMILESCC(=O)Nc1cccc(OCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1
InChIInChI=1S/C20H17NO6/c1-12-8-19(23)27-18-10-16(6-7-17(12)18)26-20(24)11-25-15-5-3-4-14(9-15)21-13(2)22/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyIMFVCMBKZSOETQ-UHFFFAOYSA-N
XLogP3.04
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8858903
(3,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 1112325
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790
(4-acetylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7741120
(4-methyl-2-oxochromen-7-yl) 2-(3,5-dimethylphenoxy)acetate
CID 7727595
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844029
(4-methyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 3293400
(4-methyl-2-oxochromen-7-yl) 2-[4-(3,5-dimethylphenoxy)phenoxy]acetate
CID 18870497
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate?
The IUPAC name of (4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate (CID 18870058) is (4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate.
What is the SMILES notation for (4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate?
The canonical SMILES for (4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate is CC(=O)Nc1cccc(OCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)c1.
What is the InChIKey of (4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate?
The InChIKey is IMFVCMBKZSOETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-12-8-19(23)27-18-10-16(6-7-17(12)18)26-20(24)11-25-15-5-3-4-14(9-15)21-13(2)22/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of (4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate?
(4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate has a molecular weight of 367.36 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxochromen-7-yl) 2-(3-acetamidophenoxy)acetate is sourced from PubChem (CID 18870058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).