4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one

C15H22N2O3 — CID 63070110

IUPAC4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one
SMILESCCOC(CN)CCN1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-3-19-12(10-16)8-9-17-13-6-4-5-7-14(13)20-11(2)15(17)18/h4-7,11-12H,3,8-10,16H2,1-2H3
InChIKeyOROYDXXJBPSRKJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.55
Rot. Bonds6

About 4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one

4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one (PubChem CID 63070110) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one
PubChem CID63070110
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one
SMILESCCOC(CN)CCN1C(=O)C(C)Oc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-3-19-12(10-16)8-9-17-13-6-4-5-7-14(13)20-11(2)15(17)18/h4-7,11-12H,3,8-10,16H2,1-2H3
InChIKeyOROYDXXJBPSRKJ-UHFFFAOYSA-N
XLogP1.55
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one (CID 63070110) is 4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one is CCOC(CN)CCN1C(=O)C(C)Oc2ccccc21.
What is the InChIKey of 4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one?
The InChIKey is OROYDXXJBPSRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-19-12(10-16)8-9-17-13-6-4-5-7-14(13)20-11(2)15(17)18/h4-7,11-12H,3,8-10,16H2,1-2H3.
What are the key properties of 4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one?
4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one has a molecular weight of 278.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-ethoxybutyl)-2-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 63070110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).