6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one

C15H22N2O2 — CID 82028744

IUPAC6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one
SMILESCC(C)C(N)c1ccc2c(c1)N(C)C(=O)C(C)(C)O2
InChIInChI=1S/C15H22N2O2/c1-9(2)13(16)10-6-7-12-11(8-10)17(5)14(18)15(3,4)19-12/h6-9,13H,16H2,1-5H3
InChIKeyZGCLEPGEYHKTOE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.48
Rot. Bonds2

About 6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one

6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one (PubChem CID 82028744) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one
PubChem CID82028744
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one
SMILESCC(C)C(N)c1ccc2c(c1)N(C)C(=O)C(C)(C)O2
InChIInChI=1S/C15H22N2O2/c1-9(2)13(16)10-6-7-12-11(8-10)17(5)14(18)15(3,4)19-12/h6-9,13H,16H2,1-5H3
InChIKeyZGCLEPGEYHKTOE-UHFFFAOYSA-N
XLogP2.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one (CID 82028744) is 6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one is CC(C)C(N)c1ccc2c(c1)N(C)C(=O)C(C)(C)O2.
What is the InChIKey of 6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one?
The InChIKey is ZGCLEPGEYHKTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9(2)13(16)10-6-7-12-11(8-10)17(5)14(18)15(3,4)19-12/h6-9,13H,16H2,1-5H3.
What are the key properties of 6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one?
6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one has a molecular weight of 262.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-methylpropyl)-2,2,4-trimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82028744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).