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

C18H18N2O3 — CID 110390265

IUPACN-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide
SMILESCN(C(=O)CCc1ccc2c(c1)NC(=O)CO2)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-20(14-5-3-2-4-6-14)18(22)10-8-13-7-9-16-15(11-13)19-17(21)12-23-16/h2-7,9,11H,8,10,12H2,1H3,(H,19,21)
InChIKeyNXAUMAADILOZFD-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.61
Rot. Bonds4

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

N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide (PubChem CID 110390265) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide
PubChem CID110390265
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide
SMILESCN(C(=O)CCc1ccc2c(c1)NC(=O)CO2)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-20(14-5-3-2-4-6-14)18(22)10-8-13-7-9-16-15(11-13)19-17(21)12-23-16/h2-7,9,11H,8,10,12H2,1H3,(H,19,21)
InChIKeyNXAUMAADILOZFD-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770301
N-benzyl-N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 59802705
3-hydroxy-N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 115139190
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide
CID 110390331
N-(2-methyl-4-phenylbut-3-yn-2-yl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 166280342
3-(4-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789938
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789939
N-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl chloride
CID 115194804
3-(4-fluorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738439
4-(dimethylamino)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzamide
CID 110795832
N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 110390284

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide?
The IUPAC name of N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide (CID 110390265) is N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide.
What is the SMILES notation for N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide?
The canonical SMILES for N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide is CN(C(=O)CCc1ccc2c(c1)NC(=O)CO2)c1ccccc1.
What is the InChIKey of N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide?
The InChIKey is NXAUMAADILOZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20(14-5-3-2-4-6-14)18(22)10-8-13-7-9-16-15(11-13)19-17(21)12-23-16/h2-7,9,11H,8,10,12H2,1H3,(H,19,21).
What are the key properties of N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide?
N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide has a molecular weight of 310.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide is sourced from PubChem (CID 110390265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).