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

C13H16N2O3 — CID 118138222

IUPACN,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCC(C)C(=O)N(C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H16N2O3/c1-8(2)13(17)15(3)9-4-5-11-10(6-9)14-12(16)7-18-11/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyFWQQYDFZXJSAIN-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.64
Rot. Bonds2

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

N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 118138222) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID118138222
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCC(C)C(=O)N(C)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H16N2O3/c1-8(2)13(17)15(3)9-4-5-11-10(6-9)14-12(16)7-18-11/h4-6,8H,7H2,1-3H3,(H,14,16)
InChIKeyFWQQYDFZXJSAIN-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 115152304
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
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-[dimethylamino(hydroxy)methyl]-4H-1,4-benzoxazin-3-one
CID 116909589
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
N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770301
6-[2-(hydroxymethyl)butyl-methylamino]-4H-1,4-benzoxazin-3-one
CID 115250676
6-[chloro(dimethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 116915239
6-(1-bromo-2-methylpropyl)-4H-1,4-benzoxazin-3-one
CID 61097770

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 118138222) is N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is CC(C)C(=O)N(C)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is FWQQYDFZXJSAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8(2)13(17)15(3)9-4-5-11-10(6-9)14-12(16)7-18-11/h4-6,8H,7H2,1-3H3,(H,14,16).
What are the key properties of N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 248.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 118138222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).