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

C20H24N2O2 — CID 10041944

IUPAC6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
SMILESCc1ccc2c(c1)CN(CCN1COc3ccc(C)cc3C1)CO2
InChIInChI=1S/C20H24N2O2/c1-15-3-5-19-17(9-15)11-21(13-23-19)7-8-22-12-18-10-16(2)4-6-20(18)24-14-22/h3-6,9-10H,7-8,11-14H2,1-2H3
InChIKeyAATFCJDKFGBSDV-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.31
Rot. Bonds3

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

6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine (PubChem CID 10041944) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
PubChem CID10041944
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
SMILESCc1ccc2c(c1)CN(CCN1COc3ccc(C)cc3C1)CO2
InChIInChI=1S/C20H24N2O2/c1-15-3-5-19-17(9-15)11-21(13-23-19)7-8-22-12-18-10-16(2)4-6-20(18)24-14-22/h3-6,9-10H,7-8,11-14H2,1-2H3
InChIKeyAATFCJDKFGBSDV-UHFFFAOYSA-N
XLogP3.31
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine (CID 10041944) is 6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine is Cc1ccc2c(c1)CN(CCN1COc3ccc(C)cc3C1)CO2.
What is the InChIKey of 6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine?
The InChIKey is AATFCJDKFGBSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-3-5-19-17(9-15)11-21(13-23-19)7-8-22-12-18-10-16(2)4-6-20(18)24-14-22/h3-6,9-10H,7-8,11-14H2,1-2H3.
What are the key properties of 6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine?
6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine has a molecular weight of 324.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-(6-methyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 10041944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).