2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide

C19H20N2O3 — CID 23409620

IUPAC2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)N1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C19H20N2O3/c1-12-8-4-5-9-15(12)20-18(22)13(2)21-16-10-6-7-11-17(16)24-14(3)19(21)23/h4-11,13-14H,1-3H3,(H,20,22)
InChIKeyGKHCXLFNCVYLHY-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.14
Rot. Bonds3

About 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide (PubChem CID 23409620) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide
PubChem CID23409620
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)N1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C19H20N2O3/c1-12-8-4-5-9-15(12)20-18(22)13(2)21-16-10-6-7-11-17(16)24-14(3)19(21)23/h4-11,13-14H,1-3H3,(H,20,22)
InChIKeyGKHCXLFNCVYLHY-UHFFFAOYSA-N
XLogP3.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-phenylpropanamide
CID 23409595
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 3381852
2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 23409914
(2S)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanamide
CID 124869695
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 23410212
N-(4-bromophenyl)-2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 23409830
2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
CID 3225025
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
N-(2,3-dimethylphenyl)-2-(2,3-dioxoindol-1-yl)propanamide
CID 4559680
4-[2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoylamino]butanoic acid
CID 82033813
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 23409757
2-(6-amino-3-oxo-2-propan-2-ylpyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,3-dimethylphenyl)propanamide
CID 110831707

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide (CID 23409620) is 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)N1C(=O)C(C)Oc2ccccc21.
What is the InChIKey of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide?
The InChIKey is GKHCXLFNCVYLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-8-4-5-9-15(12)20-18(22)13(2)21-16-10-6-7-11-17(16)24-14(3)19(21)23/h4-11,13-14H,1-3H3,(H,20,22).
What are the key properties of 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide?
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 23409620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).