3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide

C19H20N2O3 — CID 3282711

IUPAC3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2C(=O)COc3cc(C)ccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-13-3-6-15(7-4-13)20-18(22)9-10-21-16-8-5-14(2)11-17(16)24-12-19(21)23/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyKBFMUFDVXYOFLU-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.06
Rot. Bonds4

About 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide

3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide (PubChem CID 3282711) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
PubChem CID3282711
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2C(=O)COc3cc(C)ccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-13-3-6-15(7-4-13)20-18(22)9-10-21-16-8-5-14(2)11-17(16)24-12-19(21)23/h3-8,11H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyKBFMUFDVXYOFLU-UHFFFAOYSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
CID 42786112
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9374640
N-(2,4-dimethylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191692
N-(3-iodo-4-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285532
4-[[4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-7-yl]amino]-4-oxobutanoic acid
CID 39194559
4-[[4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-7-yl]amino]-4-oxobutanoic acid
CID 39194583
N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191726
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42786104
4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
CID 6488701
N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46463428
4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide
CID 110493204
4-(3-aminopropyl)-7-methyl-1,4-benzoxazin-3-one
CID 82142367

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide (CID 3282711) is 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCN2C(=O)COc3cc(C)ccc32)cc1.
What is the InChIKey of 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is KBFMUFDVXYOFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-3-6-15(7-4-13)20-18(22)9-10-21-16-8-5-14(2)11-17(16)24-12-19(21)23/h3-8,11H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide?
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 3282711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).