N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide

C19H20N2O3 — CID 110682965

IUPACN-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3C)c1C
InChIInChI=1S/C19H20N2O3/c1-11-6-5-7-15(12(11)2)20-18(22)14-8-9-16-17(10-14)24-13(3)19(23)21(16)4/h5-10,13H,1-4H3,(H,20,22)
InChIKeyCYBOFJOASLTFGE-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.30
Rot. Bonds2

About N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide

N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide (PubChem CID 110682965) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
PubChem CID110682965
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
SMILESCc1cccc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3C)c1C
InChIInChI=1S/C19H20N2O3/c1-11-6-5-7-15(12(11)2)20-18(22)14-8-9-16-17(10-14)24-13(3)19(23)21(16)4/h5-10,13H,1-4H3,(H,20,22)
InChIKeyCYBOFJOASLTFGE-UHFFFAOYSA-N
XLogP3.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide 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

2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682955
2,4-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110683008
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110683000
N-(4-methoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683224
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
7-iodo-2,4-dimethyl-1,4-benzoxazin-3-one
CID 79788265
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
N-(2,3-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347976
(2S)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 30772175
3-bromo-N-(2,3-dimethylphenyl)-4-methylbenzamide
CID 2062628
2,4-dimethyl-7-(2-methylidenepentanoyl)-1,4-benzoxazin-3-one
CID 3077707

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide (CID 110682965) is N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide is Cc1cccc(NC(=O)c2ccc3c(c2)OC(C)C(=O)N3C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
The InChIKey is CYBOFJOASLTFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-6-5-7-15(12(11)2)20-18(22)14-8-9-16-17(10-14)24-13(3)19(23)21(16)4/h5-10,13H,1-4H3,(H,20,22).
What are the key properties of N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide?
N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 110682965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).