4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide

C17H15N3O5 — CID 167895843

IUPAC4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OCC(=O)N3)cc1
InChIInChI=1S/C17H15N3O5/c18-17(23)10-1-3-11(4-2-10)19-15(21)8-24-12-5-6-13-14(7-12)25-9-16(22)20-13/h1-7H,8-9H2,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyPPPAZARMEKFXKX-UHFFFAOYSA-N
MW341.32 g/mol
LogP1.13
Rot. Bonds5

About 4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide

4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide (PubChem CID 167895843) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is 4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide
PubChem CID167895843
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide
SMILESNC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OCC(=O)N3)cc1
InChIInChI=1S/C17H15N3O5/c18-17(23)10-1-3-11(4-2-10)19-15(21)8-24-12-5-6-13-14(7-12)25-9-16(22)20-13/h1-7H,8-9H2,(H2,18,23)(H,19,21)(H,20,22)
InChIKeyPPPAZARMEKFXKX-UHFFFAOYSA-N
XLogP1.13
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344
4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
CID 119279086
4-(methylamino)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide
CID 119704209
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
CID 110493154
4-[[2-(1'-acetyl-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)oxyacetyl]amino]benzamide
CID 39308162
N-[[4-[(4-aminooxyphenyl)carbamoyl]phenyl]methyl]-N-cyclopropyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 168893124
N-(3-cyclohexyloxypropyl)-2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetamide
CID 166266578
4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]benzamide
CID 2559686
7-prop-2-enoxy-4H-1,4-benzoxazin-3-one
CID 19067995
[2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate
CID 138041946
N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770336
N-cyclopropyl-4-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
CID 55559193

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide (CID 167895843) is 4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide is NC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OCC(=O)N3)cc1.
What is the InChIKey of 4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide?
The InChIKey is PPPAZARMEKFXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c18-17(23)10-1-3-11(4-2-10)19-15(21)8-24-12-5-6-13-14(7-12)25-9-16(22)20-13/h1-7H,8-9H2,(H2,18,23)(H,19,21)(H,20,22).
What are the key properties of 4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide?
4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide has a molecular weight of 341.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3-oxo-4H-1,4-benzoxazin-7-yl)oxy]acetyl]amino]benzamide is sourced from PubChem (CID 167895843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).