2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide

C11H13N3O3 — CID 62987008

IUPAC2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)COc2cc(N)ccc21
InChIInChI=1S/C11H13N3O3/c1-13-10(15)5-14-8-3-2-7(12)4-9(8)17-6-11(14)16/h2-4H,5-6,12H2,1H3,(H,13,15)
InChIKeyIUYWFZGWPLSULD-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.26
Rot. Bonds2

About 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide

2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide (PubChem CID 62987008) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
PubChem CID62987008
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
SMILESCNC(=O)CN1C(=O)COc2cc(N)ccc21
InChIInChI=1S/C11H13N3O3/c1-13-10(15)5-14-8-3-2-7(12)4-9(8)17-6-11(14)16/h2-4H,5-6,12H2,1H3,(H,13,15)
InChIKeyIUYWFZGWPLSULD-UHFFFAOYSA-N
XLogP-0.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide
CID 62987720
7-amino-4-(2-hydroxy-2-methylpropyl)-1,4-benzoxazin-3-one
CID 122687922
7-amino-4-[(E)-but-2-enyl]-1,4-benzoxazin-3-one
CID 107900545
2-(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 15994004
7-amino-4-(2-methylsulfonylethyl)-1,4-benzoxazin-3-one
CID 62988238
4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide
CID 62988067
7-amino-4-(2-ethylsulfonylethyl)-1,4-benzoxazin-3-one
CID 55154456
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(methylamino)ethyl]acetamide
CID 119502516
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 39043950
2-methyl-2-[[2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanoic acid
CID 92942487
2-[7-(aminomethyl)-3-oxo-1,4-benzoxazin-4-yl]-N-butylacetamide
CID 82338764
diethyl 2-[[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanedioate
CID 39403095

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide?
The IUPAC name of 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide (CID 62987008) is 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide.
What is the SMILES notation for 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide?
The canonical SMILES for 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide is CNC(=O)CN1C(=O)COc2cc(N)ccc21.
What is the InChIKey of 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide?
The InChIKey is IUYWFZGWPLSULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-13-10(15)5-14-8-3-2-7(12)4-9(8)17-6-11(14)16/h2-4H,5-6,12H2,1H3,(H,13,15).
What are the key properties of 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide?
2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide has a molecular weight of 235.24 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide is sourced from PubChem (CID 62987008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).