2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one

C19H21NO2 — CID 3237584

IUPAC2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(C)cc2N(Cc2cccc(C)c2)C1=O
InChIInChI=1S/C19H21NO2/c1-4-17-19(21)20(12-15-7-5-6-13(2)10-15)16-11-14(3)8-9-18(16)22-17/h5-11,17H,4,12H2,1-3H3
InChIKeyNKWAPYGPOASLEV-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.01
Rot. Bonds3

About 2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one

2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one (PubChem CID 3237584) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one
PubChem CID3237584
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccc(C)cc2N(Cc2cccc(C)c2)C1=O
InChIInChI=1S/C19H21NO2/c1-4-17-19(21)20(12-15-7-5-6-13(2)10-15)16-11-14(3)8-9-18(16)22-17/h5-11,17H,4,12H2,1-3H3
InChIKeyNKWAPYGPOASLEV-UHFFFAOYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one?
The IUPAC name of 2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one (CID 3237584) is 2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one is CCC1Oc2ccc(C)cc2N(Cc2cccc(C)c2)C1=O.
What is the InChIKey of 2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one?
The InChIKey is NKWAPYGPOASLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-4-17-19(21)20(12-15-7-5-6-13(2)10-15)16-11-14(3)8-9-18(16)22-17/h5-11,17H,4,12H2,1-3H3.
What are the key properties of 2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one?
2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one has a molecular weight of 295.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-4-[(3-methylphenyl)methyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 3237584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).