N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

C20H19NO4 — CID 108805235

IUPACN-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(=O)CC(C)(C)O2
InChIInChI=1S/C20H19NO4/c1-12(22)14-6-4-5-7-16(14)21-19(24)13-8-9-18-15(10-13)17(23)11-20(2,3)25-18/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyQAPOUPOGQKOZDB-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.89
Rot. Bonds3

About N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108805235) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
PubChem CID108805235
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(=O)CC(C)(C)O2
InChIInChI=1S/C20H19NO4/c1-12(22)14-6-4-5-7-16(14)21-19(24)13-8-9-18-15(10-13)17(23)11-20(2,3)25-18/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyQAPOUPOGQKOZDB-UHFFFAOYSA-N
XLogP3.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793309
4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybenzoic acid
CID 108744223
N-(4-chloro-2,5-dimethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793314
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805246
N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805240
N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793202
N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108740722
N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793317
N-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793188
2,2-dimethyl-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
CID 108727448
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793302
3-[[4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108805234

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (CID 108805235) is N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is CC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(=O)CC(C)(C)O2.
What is the InChIKey of N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is QAPOUPOGQKOZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-12(22)14-6-4-5-7-16(14)21-19(24)13-8-9-18-15(10-13)17(23)11-20(2,3)25-18/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108805235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).