3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid

C18H16N2O5 — CID 10593235

IUPAC3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid
SMILESCN(C(=O)Cc1ccccc1)N1Cc2ccc(C(=O)O)cc2OC1=O
InChIInChI=1S/C18H16N2O5/c1-19(16(21)9-12-5-3-2-4-6-12)20-11-14-8-7-13(17(22)23)10-15(14)25-18(20)24/h2-8,10H,9,11H2,1H3,(H,22,23)
InChIKeyPMVZFXRQPNLXPY-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.32
Rot. Bonds4

About 3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid

3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid (PubChem CID 10593235) has the molecular formula C18H16N2O5 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid.

Molecular Properties

Compound Name3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid
PubChem CID10593235
Molecular FormulaC18H16N2O5
Molecular Weight340.34 g/mol
Exact Mass340.11
IUPAC Name3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid
SMILESCN(C(=O)Cc1ccccc1)N1Cc2ccc(C(=O)O)cc2OC1=O
InChIInChI=1S/C18H16N2O5/c1-19(16(21)9-12-5-3-2-4-6-12)20-11-14-8-7-13(17(22)23)10-15(14)25-18(20)24/h2-8,10H,9,11H2,1H3,(H,22,23)
InChIKeyPMVZFXRQPNLXPY-UHFFFAOYSA-N
XLogP2.32
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid?
The IUPAC name of 3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid (CID 10593235) is 3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid.
What is the SMILES notation for 3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid?
The canonical SMILES for 3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid is CN(C(=O)Cc1ccccc1)N1Cc2ccc(C(=O)O)cc2OC1=O.
What is the InChIKey of 3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid?
The InChIKey is PMVZFXRQPNLXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5/c1-19(16(21)9-12-5-3-2-4-6-12)20-11-14-8-7-13(17(22)23)10-15(14)25-18(20)24/h2-8,10H,9,11H2,1H3,(H,22,23).
What are the key properties of 3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid?
3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid has a molecular weight of 340.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-phenylacetyl)amino]-2-oxo-4H-1,3-benzoxazine-7-carboxylic acid is sourced from PubChem (CID 10593235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).