2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide

C20H21NO4 — CID 2728610

IUPAC2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccc2c(c1)OC(C)(C)CC2=O
InChIInChI=1S/C20H21NO4/c1-13-6-4-5-7-16(13)21-19(23)12-24-14-8-9-15-17(22)11-20(2,3)25-18(15)10-14/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyLBRZAHMGYPSTCZ-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.76
Rot. Bonds4

About 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide

2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide (PubChem CID 2728610) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide
PubChem CID2728610
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)COc1ccc2c(c1)OC(C)(C)CC2=O
InChIInChI=1S/C20H21NO4/c1-13-6-4-5-7-16(13)21-19(23)12-24-14-8-9-15-17(22)11-20(2,3)25-18(15)10-14/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyLBRZAHMGYPSTCZ-UHFFFAOYSA-N
XLogP3.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide (CID 2728610) is 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)COc1ccc2c(c1)OC(C)(C)CC2=O.
What is the InChIKey of 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide?
The InChIKey is LBRZAHMGYPSTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13-6-4-5-7-16(13)21-19(23)12-24-14-8-9-15-17(22)11-20(2,3)25-18(15)10-14/h4-10H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide?
2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide has a molecular weight of 339.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 2728610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).