2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one

C16H23NO3 — CID 82162333

IUPAC2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2ccc(O)cc2N(CC(C)C)C1=O
InChIInChI=1S/C16H23NO3/c1-5-16(6-2)15(19)17(10-11(3)4)13-9-12(18)7-8-14(13)20-16/h7-9,11,18H,5-6,10H2,1-4H3
InChIKeyOOLZBSKFFMGTJZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.33
Rot. Bonds4

About 2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one

2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one (PubChem CID 82162333) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one
PubChem CID82162333
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2ccc(O)cc2N(CC(C)C)C1=O
InChIInChI=1S/C16H23NO3/c1-5-16(6-2)15(19)17(10-11(3)4)13-9-12(18)7-8-14(13)20-16/h7-9,11,18H,5-6,10H2,1-4H3
InChIKeyOOLZBSKFFMGTJZ-UHFFFAOYSA-N
XLogP3.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one?
The IUPAC name of 2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one (CID 82162333) is 2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one is CCC1(CC)Oc2ccc(O)cc2N(CC(C)C)C1=O.
What is the InChIKey of 2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one?
The InChIKey is OOLZBSKFFMGTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-16(6-2)15(19)17(10-11(3)4)13-9-12(18)7-8-14(13)20-16/h7-9,11,18H,5-6,10H2,1-4H3.
What are the key properties of 2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one?
2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one has a molecular weight of 277.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 82162333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).