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

C14H19N3O3 — CID 62988067

IUPAC4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN1C(=O)COc2cc(N)ccc21
InChIInChI=1S/C14H19N3O3/c1-16(2)13(18)4-3-7-17-11-6-5-10(15)8-12(11)20-9-14(17)19/h5-6,8H,3-4,7,9,15H2,1-2H3
InChIKeyYQHOOQJAWMNRIW-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.86
Rot. Bonds4

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

4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide (PubChem CID 62988067) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide
PubChem CID62988067
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN1C(=O)COc2cc(N)ccc21
InChIInChI=1S/C14H19N3O3/c1-16(2)13(18)4-3-7-17-11-6-5-10(15)8-12(11)20-9-14(17)19/h5-6,8H,3-4,7,9,15H2,1-2H3
InChIKeyYQHOOQJAWMNRIW-UHFFFAOYSA-N
XLogP0.86
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide with MolForge

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Related Compounds

7-amino-4-(2-methylsulfonylethyl)-1,4-benzoxazin-3-one
CID 62988238
7-amino-4-(2-ethylsulfonylethyl)-1,4-benzoxazin-3-one
CID 55154456
2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-methylacetamide
CID 62987008
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
7-amino-4-[3-(dimethylamino)hexyl]-1,4-benzoxazin-3-one
CID 143919885
6-amino-4-heptyl-1,4-benzoxazin-3-one
CID 43479486
6-amino-4-(6-hydroxyhexyl)-1,4-benzoxazin-3-one
CID 107703729
2-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N-carbamoylacetamide
CID 62987720
7-amino-4-(2-thiophen-2-ylethyl)-1,4-benzoxazin-3-one
CID 63773986
4-(3-aminopropyl)-7-methyl-1,4-benzoxazin-3-one
CID 82142367
5-(6-amino-3-oxo-1,4-benzoxazin-4-yl)pentanenitrile
CID 54965942

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide (CID 62988067) is 4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCN1C(=O)COc2cc(N)ccc21.
What is the InChIKey of 4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide?
The InChIKey is YQHOOQJAWMNRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16(2)13(18)4-3-7-17-11-6-5-10(15)8-12(11)20-9-14(17)19/h5-6,8H,3-4,7,9,15H2,1-2H3.
What are the key properties of 4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide?
4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide has a molecular weight of 277.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-3-oxo-1,4-benzoxazin-4-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 62988067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).