7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one

C14H20N2O2 — CID 116994977

IUPAC7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(C(C)(C)CN)ccc2N(C)C1=O
InChIInChI=1S/C14H20N2O2/c1-9-13(17)16(4)11-6-5-10(7-12(11)18-9)14(2,3)8-15/h5-7,9H,8,15H2,1-4H3
InChIKeyXVIRBNRUSBFVRL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds2

About 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one

7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one (PubChem CID 116994977) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
PubChem CID116994977
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(C(C)(C)CN)ccc2N(C)C1=O
InChIInChI=1S/C14H20N2O2/c1-9-13(17)16(4)11-6-5-10(7-12(11)18-9)14(2,3)8-15/h5-7,9H,8,15H2,1-4H3
InChIKeyXVIRBNRUSBFVRL-UHFFFAOYSA-N
XLogP1.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one (CID 116994977) is 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one is CC1Oc2cc(C(C)(C)CN)ccc2N(C)C1=O.
What is the InChIKey of 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is XVIRBNRUSBFVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-13(17)16(4)11-6-5-10(7-12(11)18-9)14(2,3)8-15/h5-7,9H,8,15H2,1-4H3.
What are the key properties of 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one?
7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 248.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 116994977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).