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

C18H16N2O5 — CID 39058834

IUPACmethyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1CC(=O)Oc2ccccc21
InChIInChI=1S/C18H16N2O5/c1-24-18(23)12-6-2-3-7-13(12)19-16(21)10-20-11-17(22)25-15-9-5-4-8-14(15)20/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyRGXSIRPDHJKLPI-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.84
Rot. Bonds4

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

methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate (PubChem CID 39058834) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
PubChem CID39058834
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Namemethyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1CC(=O)Oc2ccccc21
InChIInChI=1S/C18H16N2O5/c1-24-18(23)12-6-2-3-7-13(12)19-16(21)10-20-11-17(22)25-15-9-5-4-8-14(15)20/h2-9H,10-11H2,1H3,(H,19,21)
InChIKeyRGXSIRPDHJKLPI-UHFFFAOYSA-N
XLogP1.84
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-(7-nitro-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 39060441
methyl 2-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 2992916
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39069615
N-(6-methoxy-3-pyridinyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 56762271
methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 43406096
N-(4-bromophenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837567
methyl 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetyl]amino]benzoate
CID 8591972
N-(4-methylpiperazin-1-yl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39061333
2-chloro-5-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 39058832
N-(3-chloro-4-methylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 18837562
methyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzoate
CID 935456
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate (CID 39058834) is methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN1CC(=O)Oc2ccccc21.
What is the InChIKey of methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate?
The InChIKey is RGXSIRPDHJKLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-24-18(23)12-6-2-3-7-13(12)19-16(21)10-20-11-17(22)25-15-9-5-4-8-14(15)20/h2-9H,10-11H2,1H3,(H,19,21).
What are the key properties of methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate?
methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate has a molecular weight of 340.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate is sourced from PubChem (CID 39058834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).