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

C18H19NO2 — CID 4278807

IUPAC2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccccc2N(Cc2ccccc2C)C1=O
InChIInChI=1S/C18H19NO2/c1-3-16-18(20)19(12-14-9-5-4-8-13(14)2)15-10-6-7-11-17(15)21-16/h4-11,16H,3,12H2,1-2H3
InChIKeyZXNSFHYSUXMWGU-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.70
Rot. Bonds3

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

2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one (PubChem CID 4278807) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
PubChem CID4278807
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCCC1Oc2ccccc2N(Cc2ccccc2C)C1=O
InChIInChI=1S/C18H19NO2/c1-3-16-18(20)19(12-14-9-5-4-8-13(14)2)15-10-6-7-11-17(15)21-16/h4-11,16H,3,12H2,1-2H3
InChIKeyZXNSFHYSUXMWGU-UHFFFAOYSA-N
XLogP3.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one?
The IUPAC name of 2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one (CID 4278807) is 2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one is CCC1Oc2ccccc2N(Cc2ccccc2C)C1=O.
What is the InChIKey of 2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one?
The InChIKey is ZXNSFHYSUXMWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-16-18(20)19(12-14-9-5-4-8-13(14)2)15-10-6-7-11-17(15)21-16/h4-11,16H,3,12H2,1-2H3.
What are the key properties of 2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one?
2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one has a molecular weight of 281.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 4278807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).