3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

C17H17N3O3 — CID 51153492

IUPAC3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1
InChIInChI=1S/C17H17N3O3/c1-20(2)13-5-3-4-11(8-13)17(22)18-12-6-7-15-14(9-12)19-16(21)10-23-15/h3-9H,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyNZGLKKJLQUFNNO-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.34
Rot. Bonds3

About 3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide

3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (PubChem CID 51153492) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
PubChem CID51153492
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1
InChIInChI=1S/C17H17N3O3/c1-20(2)13-5-3-4-11(8-13)17(22)18-12-6-7-15-14(9-12)19-16(21)10-23-15/h3-9H,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyNZGLKKJLQUFNNO-UHFFFAOYSA-N
XLogP2.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide
CID 59802884
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
CID 110793054
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(dimethylamino)benzamide
CID 26070602
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)benzamide
CID 34441263
3-methyl-4-nitro-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 34040603
N-[2-(dimethylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86929686
3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 55349644

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide (CID 51153492) is 3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is CN(C)c1cccc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1.
What is the InChIKey of 3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is NZGLKKJLQUFNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-20(2)13-5-3-4-11(8-13)17(22)18-12-6-7-15-14(9-12)19-16(21)10-23-15/h3-9H,10H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide?
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 311.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 51153492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).