3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide

C17H16N2O3 — CID 110713280

IUPAC3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cccc3c2N(C)C(=O)CO3)c1
InChIInChI=1S/C17H16N2O3/c1-11-5-3-6-12(9-11)17(21)18-13-7-4-8-14-16(13)19(2)15(20)10-22-14/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyGKYAYJFZHSNSDR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.60
Rot. Bonds2

About 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide

3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide (PubChem CID 110713280) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide
PubChem CID110713280
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cccc3c2N(C)C(=O)CO3)c1
InChIInChI=1S/C17H16N2O3/c1-11-5-3-6-12(9-11)17(21)18-13-7-4-8-14-16(13)19(2)15(20)10-22-14/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyGKYAYJFZHSNSDR-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide
CID 110713352
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-thiophen-2-ylacetamide
CID 110713295
N-(2-methoxy-5-methylphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 46286910
4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide
CID 136570612
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
3-[(3-methylbenzoyl)amino]phthalic acid
CID 17172174
N-(2,6-difluorophenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110763933
3-methyl-N-(3-oxo-4-prop-2-enylpyrido[3,2-b][1,4]oxazin-6-yl)benzamide
CID 134107169
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746
N-(1,3-dimethylpyrazol-4-yl)-3-methylbenzamide
CID 19346010
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide?
The IUPAC name of 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide (CID 110713280) is 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide?
The canonical SMILES for 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide is Cc1cccc(C(=O)Nc2cccc3c2N(C)C(=O)CO3)c1.
What is the InChIKey of 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide?
The InChIKey is GKYAYJFZHSNSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-5-3-6-12(9-11)17(21)18-13-7-4-8-14-16(13)19(2)15(20)10-22-14/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide?
3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide has a molecular weight of 296.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide is sourced from PubChem (CID 110713280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).