4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one

C16H24N2O2 — CID 82143210

IUPAC4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CC(C)(C)N)C(=O)C(C(C)C)O2
InChIInChI=1S/C16H24N2O2/c1-10(2)14-15(19)18(9-16(4,5)17)12-8-11(3)6-7-13(12)20-14/h6-8,10,14H,9,17H2,1-5H3
InChIKeyDJNUSQQVWDHWOR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.48
Rot. Bonds3

About 4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one

4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one (PubChem CID 82143210) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
PubChem CID82143210
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CC(C)(C)N)C(=O)C(C(C)C)O2
InChIInChI=1S/C16H24N2O2/c1-10(2)14-15(19)18(9-16(4,5)17)12-8-11(3)6-7-13(12)20-14/h6-8,10,14H,9,17H2,1-5H3
InChIKeyDJNUSQQVWDHWOR-UHFFFAOYSA-N
XLogP2.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-2-[(2R)-6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetamide
CID 7437525
4-(2-amino-2-methylpropyl)-6-tert-butyl-2-ethyl-1,4-benzoxazin-3-one
CID 82143232
4-(2-amino-2-methylpropyl)-6-chloro-2-ethyl-1,4-benzoxazin-3-one
CID 82143212
4-(2-aminoethyl)-2,6-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82142319
2-(6-amino-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N,N-dimethylacetamide
CID 82022094
2-(6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)acetamide
CID 82022125
4-(4-aminobutyl)-2,6-di(propan-2-yl)-1,4-benzoxazin-3-one
CID 82142447
4-(2-amino-2-methylpropyl)-2-methyl-6-nitro-1,4-benzoxazin-3-one
CID 82143236
N-(furan-2-ylmethyl)-2-(6-methyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 3225082
4-(1-aminopropan-2-yl)-6-chloro-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82143010
2-(6-fluoro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-2-methylpropanoic acid
CID 82142784
6-(2-aminopropanoyl)-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82339635

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one (CID 82143210) is 4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one is Cc1ccc2c(c1)N(CC(C)(C)N)C(=O)C(C(C)C)O2.
What is the InChIKey of 4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one?
The InChIKey is DJNUSQQVWDHWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10(2)14-15(19)18(9-16(4,5)17)12-8-11(3)6-7-13(12)20-14/h6-8,10,14H,9,17H2,1-5H3.
What are the key properties of 4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one?
4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one has a molecular weight of 276.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)-6-methyl-2-propan-2-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82143210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).