5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one

C16H24N2O2 — CID 82162293

IUPAC5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2cccc(N)c2N(CC(C)C)C1=O
InChIInChI=1S/C16H24N2O2/c1-5-16(6-2)15(19)18(10-11(3)4)14-12(17)8-7-9-13(14)20-16/h7-9,11H,5-6,10,17H2,1-4H3
InChIKeyCFZKYZVNWQSFGJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.21
Rot. Bonds4

About 5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one

5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one (PubChem CID 82162293) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one
PubChem CID82162293
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one
SMILESCCC1(CC)Oc2cccc(N)c2N(CC(C)C)C1=O
InChIInChI=1S/C16H24N2O2/c1-5-16(6-2)15(19)18(10-11(3)4)14-12(17)8-7-9-13(14)20-16/h7-9,11H,5-6,10,17H2,1-4H3
InChIKeyCFZKYZVNWQSFGJ-UHFFFAOYSA-N
XLogP3.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-(2-amino-2-methylpropyl)-2,2-diethyl-1,4-benzoxazin-3-one
CID 82162622
3-(5-amino-2,2-diethyl-3-oxo-1,4-benzoxazin-4-yl)propanenitrile
CID 82162624
2,2-diethyl-6-hydroxy-4-(2-methylpropyl)-1,4-benzoxazin-3-one
CID 82162333
5-amino-2,2-dimethyl-4-pentyl-1,4-benzoxazin-3-one
CID 82346136
5-amino-4-[3-(dimethylamino)propyl]-2,2-dimethyl-1,4-benzoxazin-3-one
CID 82346158
5-amino-2,2-diethyl-4H-1,4-benzoxazin-3-one
CID 82177370
5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
CID 82346261
2-[(5-amino-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzonitrile
CID 95947957
4-(3-aminopropyl)-2,2-diethyl-1,4-benzoxazin-3-one
CID 82162476
7-amino-4-(2,3-dihydroxypropyl)-2,2-diethyl-1,4-benzoxazin-3-one
CID 82162439
2,2-diethyl-4-(2-hydroxyethyl)-1,4-benzoxazin-3-one
CID 82162170
7-fluoro-3,3-dimethyl-1-(2-methylpropyl)indol-2-one
CID 141130577

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one?
The IUPAC name of 5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one (CID 82162293) is 5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one is CCC1(CC)Oc2cccc(N)c2N(CC(C)C)C1=O.
What is the InChIKey of 5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one?
The InChIKey is CFZKYZVNWQSFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-16(6-2)15(19)18(10-11(3)4)14-12(17)8-7-9-13(14)20-16/h7-9,11H,5-6,10,17H2,1-4H3.
What are the key properties of 5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one?
5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one has a molecular weight of 276.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,2-diethyl-4-(2-methylpropyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 82162293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).