3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine

C21H26N2O2 — CID 10871480

IUPAC3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine
SMILESCN1COc2ccc(C(C)(C)c3ccc4c(c3)CN(C)CO4)cc2C1
InChIInChI=1S/C21H26N2O2/c1-21(2,17-5-7-19-15(9-17)11-22(3)13-24-19)18-6-8-20-16(10-18)12-23(4)14-25-20/h5-10H,11-14H2,1-4H3
InChIKeyZQURWBBQNMCNIR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.58
Rot. Bonds2

About 3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine

3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine (PubChem CID 10871480) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine
PubChem CID10871480
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine
SMILESCN1COc2ccc(C(C)(C)c3ccc4c(c3)CN(C)CO4)cc2C1
InChIInChI=1S/C21H26N2O2/c1-21(2,17-5-7-19-15(9-17)11-22(3)13-24-19)18-6-8-20-16(10-18)12-23(4)14-25-20/h5-10H,11-14H2,1-4H3
InChIKeyZQURWBBQNMCNIR-UHFFFAOYSA-N
XLogP3.58
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine (CID 10871480) is 3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine is CN1COc2ccc(C(C)(C)c3ccc4c(c3)CN(C)CO4)cc2C1.
What is the InChIKey of 3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine?
The InChIKey is ZQURWBBQNMCNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(2,17-5-7-19-15(9-17)11-22(3)13-24-19)18-6-8-20-16(10-18)12-23(4)14-25-20/h5-10H,11-14H2,1-4H3.
What are the key properties of 3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine?
3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine has a molecular weight of 338.45 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(3-methyl-2,4-dihydro-1,3-benzoxazin-6-yl)propan-2-yl]-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 10871480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).