2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one

C19H20N2O3 — CID 15955767

IUPAC2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one
SMILESCOCC(Cc1ccccc1)Nc1nc2cccc(C)c2c(=O)o1
InChIInChI=1S/C19H20N2O3/c1-13-7-6-10-16-17(13)18(22)24-19(21-16)20-15(12-23-2)11-14-8-4-3-5-9-14/h3-10,15H,11-12H2,1-2H3,(H,20,21)
InChIKeyTYTHJUZPDJXKBZ-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.17
Rot. Bonds6

About 2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one

2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one (PubChem CID 15955767) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one
PubChem CID15955767
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one
SMILESCOCC(Cc1ccccc1)Nc1nc2cccc(C)c2c(=O)o1
InChIInChI=1S/C19H20N2O3/c1-13-7-6-10-16-17(13)18(22)24-19(21-16)20-15(12-23-2)11-14-8-4-3-5-9-14/h3-10,15H,11-12H2,1-2H3,(H,20,21)
InChIKeyTYTHJUZPDJXKBZ-UHFFFAOYSA-N
XLogP3.17
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one (CID 15955767) is 2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one is COCC(Cc1ccccc1)Nc1nc2cccc(C)c2c(=O)o1.
What is the InChIKey of 2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one?
The InChIKey is TYTHJUZPDJXKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-7-6-10-16-17(13)18(22)24-19(21-16)20-15(12-23-2)11-14-8-4-3-5-9-14/h3-10,15H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one?
2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one has a molecular weight of 324.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-3-phenylpropan-2-yl)amino]-5-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 15955767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).