2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one

C17H17NO2 — CID 2852893

IUPAC2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one
SMILESCCC1(Cc2ccccc2)NC(=O)c2ccccc2O1
InChIInChI=1S/C17H17NO2/c1-2-17(12-13-8-4-3-5-9-13)18-16(19)14-10-6-7-11-15(14)20-17/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyCXVCOIDGWFPMBV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.16
Rot. Bonds3

About 2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one

2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one (PubChem CID 2852893) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one
PubChem CID2852893
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one
SMILESCCC1(Cc2ccccc2)NC(=O)c2ccccc2O1
InChIInChI=1S/C17H17NO2/c1-2-17(12-13-8-4-3-5-9-13)18-16(19)14-10-6-7-11-15(14)20-17/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyCXVCOIDGWFPMBV-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one?
The IUPAC name of 2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one (CID 2852893) is 2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one?
The canonical SMILES for 2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one is CCC1(Cc2ccccc2)NC(=O)c2ccccc2O1.
What is the InChIKey of 2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one?
The InChIKey is CXVCOIDGWFPMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-17(12-13-8-4-3-5-9-13)18-16(19)14-10-6-7-11-15(14)20-17/h3-11H,2,12H2,1H3,(H,18,19).
What are the key properties of 2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one?
2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one has a molecular weight of 267.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-ethyl-3H-1,3-benzoxazin-4-one is sourced from PubChem (CID 2852893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).