N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide

C22H18N2O4 — CID 51153526

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C22H18N2O4/c25-21(23-16-10-11-20-18(12-16)24-22(26)14-28-20)13-27-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,25)(H,24,26)
InChIKeyGOLKITPTCNCNHG-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.70
Rot. Bonds5

About N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide (PubChem CID 51153526) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide
PubChem CID51153526
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C22H18N2O4/c25-21(23-16-10-11-20-18(12-16)24-22(26)14-28-20)13-27-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,25)(H,24,26)
InChIKeyGOLKITPTCNCNHG-UHFFFAOYSA-N
XLogP3.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51175989
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
2-(2,5-dimethylpyrrol-1-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110205820
N-(4-chlorophenyl)-2-(2-phenylphenoxy)acetamide
CID 7894368
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052
2-[(4-fluorophenyl)methoxy]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153524
(E)-3-(2-ethoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 34039399
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
N-(2-methyl-1H-indol-5-yl)-2-(2-phenylphenoxy)acetamide
CID 71897550
2-(2-methoxyphenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145221

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide (CID 51153526) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide is O=C(COc1ccccc1-c1ccccc1)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is GOLKITPTCNCNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c25-21(23-16-10-11-20-18(12-16)24-22(26)14-28-20)13-27-19-9-5-4-8-17(19)15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,25)(H,24,26).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 51153526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).