7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one

C14H20N2O2 — CID 116994977

IUPAC7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(C(C)(C)CN)ccc2N(C)C1=O
InChIInChI=1S/C14H20N2O2/c1-9-13(17)16(4)11-6-5-10(7-12(11)18-9)14(2,3)8-15/h5-7,9H,8,15H2,1-4H3
InChIKeyXVIRBNRUSBFVRL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds2

About 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one

7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one (PubChem CID 116994977) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
PubChem CID116994977
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(C(C)(C)CN)ccc2N(C)C1=O
InChIInChI=1S/C14H20N2O2/c1-9-13(17)16(4)11-6-5-10(7-12(11)18-9)14(2,3)8-15/h5-7,9H,8,15H2,1-4H3
InChIKeyXVIRBNRUSBFVRL-UHFFFAOYSA-N
XLogP1.67
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-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

4-(2-Piperidin-1-ylethyl)-7-propyl-1,4-benzoxazin-3-one
CID 59630032
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
4-Methyl-7-[4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]-2H-1,4-benzoxazine-3(4H)-one
CID 10718277
4-Methyl-7-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4H-benzo[1,4]oxazin-3-one
CID 10788207
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876
N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 31092
1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306
2-(3,5-dimethylphenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide
CID 2231395
4-(4-fluorobenzyl)-2-methyl-2H-1,4-benzoxazin-3(4H)-one
CID 3227582
6-tert-butyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-2H-1,4-benzoxazin-3(4H)-one
CID 4613505
4-[2-(4-Ethylphenoxy)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 16299176
7-(4-Phenyl-piperazin-1-ylmethyl)-4H-benzo[1,4]oxazin-3-one
CID 9836900

Frequently Asked Questions

What is the IUPAC name of 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one (CID 116994977) is 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one is CC1Oc2cc(C(C)(C)CN)ccc2N(C)C1=O.
What is the InChIKey of 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is XVIRBNRUSBFVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9-13(17)16(4)11-6-5-10(7-12(11)18-9)14(2,3)8-15/h5-7,9H,8,15H2,1-4H3.
What are the key properties of 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one?
7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 248.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-amino-2-methylpropan-2-yl)-2,4-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 116994977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).