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

C14H20N2O2 — CID 116991050

IUPAC2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one
SMILESCC(C)C(CN)C1Oc2ccccc2N(C)C1=O
InChIInChI=1S/C14H20N2O2/c1-9(2)10(8-15)13-14(17)16(3)11-6-4-5-7-12(11)18-13/h4-7,9-10,13H,8,15H2,1-3H3
InChIKeyYEEHZWDHGREGSM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.64
Rot. Bonds3

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

2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one (PubChem CID 116991050) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one
PubChem CID116991050
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one
SMILESCC(C)C(CN)C1Oc2ccccc2N(C)C1=O
InChIInChI=1S/C14H20N2O2/c1-9(2)10(8-15)13-14(17)16(3)11-6-4-5-7-12(11)18-13/h4-7,9-10,13H,8,15H2,1-3H3
InChIKeyYEEHZWDHGREGSM-UHFFFAOYSA-N
XLogP1.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-aminopropan-2-yl)-4-methylpyrido[3,2-b][1,4]oxazin-3-one
CID 116990467
2-acetyl-4-methyl-1,4-benzoxazin-3-one
CID 116991012
2-(3-amino-3-methylbutyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990965
ethyl 4-methyl-3-oxo-1,4-benzoxazine-2-carboxylate
CID 10657388
2-(3-aminocyclobutyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990987
5-amino-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346236
7-(1-aminopropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
CID 116994975
3-(3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)propanoic acid
CID 24738101
(1S,11S)-9-methyl-12-propan-2-yl-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one
CID 75410327
2-(3-aminophenyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990980
2-(3-oxo-4-propan-2-yl-1,4-benzoxazin-2-yl)acetic acid
CID 82025745
4-fluoro-N-[(4-methyl-3-oxo-1,4-benzoxazin-2-yl)methyl]benzamide
CID 110404478

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one (CID 116991050) is 2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one is CC(C)C(CN)C1Oc2ccccc2N(C)C1=O.
What is the InChIKey of 2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is YEEHZWDHGREGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)10(8-15)13-14(17)16(3)11-6-4-5-7-12(11)18-13/h4-7,9-10,13H,8,15H2,1-3H3.
What are the key properties of 2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one?
2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 248.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutan-2-yl)-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 116991050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).