2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

C12H15N3O3 — CID 115152304

IUPAC2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCC(N)C(=O)N(C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C12H15N3O3/c1-7(13)12(17)15(2)8-3-4-10-9(5-8)14-11(16)6-18-10/h3-5,7H,6,13H2,1-2H3,(H,14,16)
InChIKeyIHMBDVVYLHPMRM-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.33
Rot. Bonds2

About 2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 115152304) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID115152304
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCC(N)C(=O)N(C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C12H15N3O3/c1-7(13)12(17)15(2)8-3-4-10-9(5-8)14-11(16)6-18-10/h3-5,7H,6,13H2,1-2H3,(H,14,16)
InChIKeyIHMBDVVYLHPMRM-UHFFFAOYSA-N
XLogP0.33
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 118138222
2-amino-3-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 115179746
3-amino-2-hydroxy-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 115180423
6-[dimethylamino(hydroxy)methyl]-4H-1,4-benzoxazin-3-one
CID 116909589
N-methyl-3-oxo-N-propan-2-yl-4H-1,4-benzoxazine-6-carboxamide
CID 78843937
6-[(1R)-1-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 47003494
6-[2-(hydroxymethyl)butyl-methylamino]-4H-1,4-benzoxazin-3-one
CID 115250676
6-[amino(bromo)methyl]-4H-1,4-benzoxazin-3-one
CID 116947633
6-[(1S)-1-amino-2-hydroxyethyl]-4H-1,4-benzoxazin-3-one
CID 66514510
methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 116964414
6-[2-chloroethyl(methyl)amino]-4H-1,4-benzoxazin-3-one
CID 115214737
6-[4-hydroxybutyl(methyl)amino]-4H-1,4-benzoxazin-3-one
CID 115217508

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 115152304) is 2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is CC(N)C(=O)N(C)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is IHMBDVVYLHPMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7(13)12(17)15(2)8-3-4-10-9(5-8)14-11(16)6-18-10/h3-5,7H,6,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 249.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 115152304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).