2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide

C18H17N3O4 — CID 23409985

IUPAC2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2ccccc2C(N)=O)C1=O
InChIInChI=1S/C18H17N3O4/c1-11-18(24)21(14-8-4-5-9-15(14)25-11)10-16(22)20-13-7-3-2-6-12(13)17(19)23/h2-9,11H,10H2,1H3,(H2,19,23)(H,20,22)
InChIKeyVWBXYXOUYKVMPR-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.54
Rot. Bonds4

About 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide

2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide (PubChem CID 23409985) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
PubChem CID23409985
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide
SMILESCC1Oc2ccccc2N(CC(=O)Nc2ccccc2C(N)=O)C1=O
InChIInChI=1S/C18H17N3O4/c1-11-18(24)21(14-8-4-5-9-15(14)25-11)10-16(22)20-13-7-3-2-6-12(13)17(19)23/h2-9,11H,10H2,1H3,(H2,19,23)(H,20,22)
InChIKeyVWBXYXOUYKVMPR-UHFFFAOYSA-N
XLogP1.54
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
N-(3-chloro-2-methylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409254
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-propoxyphenyl)acetamide
CID 17410983
N-(2,4-dichlorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23410074
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24586510
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18132242
4-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409297
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-propan-2-ylacetamide
CID 7437484
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 43063137
2-(2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
CID 3225025
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 17449384
N'-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-phenylacetohydrazide
CID 18132260

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide (CID 23409985) is 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide is CC1Oc2ccccc2N(CC(=O)Nc2ccccc2C(N)=O)C1=O.
What is the InChIKey of 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide?
The InChIKey is VWBXYXOUYKVMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11-18(24)21(14-8-4-5-9-15(14)25-11)10-16(22)20-13-7-3-2-6-12(13)17(19)23/h2-9,11H,10H2,1H3,(H2,19,23)(H,20,22).
What are the key properties of 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide?
2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide has a molecular weight of 339.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide is sourced from PubChem (CID 23409985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).