2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one

C14H19NO3 — CID 90723603

IUPAC2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one
SMILESCCC1(C)NC(=O)c2cc(OC(C)C)ccc2O1
InChIInChI=1S/C14H19NO3/c1-5-14(4)15-13(16)11-8-10(17-9(2)3)6-7-12(11)18-14/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyAKJNFAJDLBNYOA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.72
Rot. Bonds3

About 2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one

2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one (PubChem CID 90723603) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one
PubChem CID90723603
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one
SMILESCCC1(C)NC(=O)c2cc(OC(C)C)ccc2O1
InChIInChI=1S/C14H19NO3/c1-5-14(4)15-13(16)11-8-10(17-9(2)3)6-7-12(11)18-14/h6-9H,5H2,1-4H3,(H,15,16)
InChIKeyAKJNFAJDLBNYOA-UHFFFAOYSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one?
The IUPAC name of 2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one (CID 90723603) is 2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one.
What is the SMILES notation for 2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one?
The canonical SMILES for 2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one is CCC1(C)NC(=O)c2cc(OC(C)C)ccc2O1.
What is the InChIKey of 2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one?
The InChIKey is AKJNFAJDLBNYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-14(4)15-13(16)11-8-10(17-9(2)3)6-7-12(11)18-14/h6-9H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one?
2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one has a molecular weight of 249.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-6-propan-2-yloxy-3H-1,3-benzoxazin-4-one is sourced from PubChem (CID 90723603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).