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

C17H16N2O3 — CID 110770301

IUPACN-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
SMILESCN(C(=O)Cc1ccc2c(c1)NC(=O)CO2)c1ccccc1
InChIInChI=1S/C17H16N2O3/c1-19(13-5-3-2-4-6-13)17(21)10-12-7-8-15-14(9-12)18-16(20)11-22-15/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyYLOYHIKQEIZLGP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.22
Rot. Bonds3

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

N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide (PubChem CID 110770301) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
PubChem CID110770301
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
SMILESCN(C(=O)Cc1ccc2c(c1)NC(=O)CO2)c1ccccc1
InChIInChI=1S/C17H16N2O3/c1-19(13-5-3-2-4-6-13)17(21)10-12-7-8-15-14(9-12)18-16(20)11-22-15/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyYLOYHIKQEIZLGP-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide
CID 110390265
N-benzyl-N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802705
N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770562
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
N-methyl-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770440
6-(3-chloro-2-oxopropyl)-4H-1,4-benzoxazin-3-one
CID 140510759
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-phenylacetamide
CID 18190703
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730
6-(chloromethyl)-4H-1,4-benzoxazin-3-one
CID 43121482
N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl chloride
CID 115194804
3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 115139190
N,2-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 118138222

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide (CID 110770301) is N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide is CN(C(=O)Cc1ccc2c(c1)NC(=O)CO2)c1ccccc1.
What is the InChIKey of N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The InChIKey is YLOYHIKQEIZLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-19(13-5-3-2-4-6-13)17(21)10-12-7-8-15-14(9-12)18-16(20)11-22-15/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide has a molecular weight of 296.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide is sourced from PubChem (CID 110770301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).