ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate

C18H16N2O5 — CID 110699795

IUPACethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cccc2c1NC(=O)CO2
InChIInChI=1S/C18H16N2O5/c1-2-24-18(23)11-6-3-4-8-13(11)19-17(22)12-7-5-9-14-16(12)20-15(21)10-25-14/h3-9H,2,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyZUJVDJUCIFGQNL-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.45
Rot. Bonds4

About ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate

ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate (PubChem CID 110699795) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate
PubChem CID110699795
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Nameethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cccc2c1NC(=O)CO2
InChIInChI=1S/C18H16N2O5/c1-2-24-18(23)11-6-3-4-8-13(11)19-17(22)12-7-5-9-14-16(12)20-15(21)10-25-14/h3-9H,2,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyZUJVDJUCIFGQNL-UHFFFAOYSA-N
XLogP2.45
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699703
3-oxo-N-[4-(trifluoromethyl)phenyl]-4H-1,4-benzoxazine-5-carboxamide
CID 110699758
ethyl 2-[(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]benzoate
CID 110600656
ethyl 2-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzoate
CID 687625
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate
CID 110692261
5-bromo-N-(3-oxo-4H-1,4-benzoxazin-5-yl)furan-2-carboxamide
CID 110742113
ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate
CID 15947078
N-(3-methoxypropyl)-3-oxo-N-pentyl-4H-1,4-benzoxazine-5-carboxamide
CID 126834988
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate (CID 110699795) is ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cccc2c1NC(=O)CO2.
What is the InChIKey of ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate?
The InChIKey is ZUJVDJUCIFGQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-2-24-18(23)11-6-3-4-8-13(11)19-17(22)12-7-5-9-14-16(12)20-15(21)10-25-14/h3-9H,2,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate?
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate has a molecular weight of 340.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate is sourced from PubChem (CID 110699795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).