2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one

C24H23NO2 — CID 102222674

IUPAC2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCCC1Oc2cc(C)ccc2N(Cc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C24H23NO2/c1-3-22-24(26)25(21-14-13-17(2)15-23(21)27-22)16-19-11-7-8-12-20(19)18-9-5-4-6-10-18/h4-15,22H,3,16H2,1-2H3
InChIKeyXHXGBNARYHZYAR-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.37
Rot. Bonds4

About 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one

2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one (PubChem CID 102222674) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one
PubChem CID102222674
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCCC1Oc2cc(C)ccc2N(Cc2ccccc2-c2ccccc2)C1=O
InChIInChI=1S/C24H23NO2/c1-3-22-24(26)25(21-14-13-17(2)15-23(21)27-22)16-19-11-7-8-12-20(19)18-9-5-4-6-10-18/h4-15,22H,3,16H2,1-2H3
InChIKeyXHXGBNARYHZYAR-UHFFFAOYSA-N
XLogP5.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one?
The IUPAC name of 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one (CID 102222674) is 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one is CCC1Oc2cc(C)ccc2N(Cc2ccccc2-c2ccccc2)C1=O.
What is the InChIKey of 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one?
The InChIKey is XHXGBNARYHZYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO2/c1-3-22-24(26)25(21-14-13-17(2)15-23(21)27-22)16-19-11-7-8-12-20(19)18-9-5-4-6-10-18/h4-15,22H,3,16H2,1-2H3.
What are the key properties of 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one?
2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one has a molecular weight of 357.45 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-4-[(2-phenylphenyl)methyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 102222674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).