3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide

C23H20N2O3 — CID 17488541

IUPAC3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H20N2O3/c26-22(14-15-25-20-12-6-7-13-21(20)28-16-23(25)27)24-19-11-5-4-10-18(19)17-8-2-1-3-9-17/h1-13H,14-16H2,(H,24,26)
InChIKeyWMKDZRSBCHPZJS-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.11
Rot. Bonds5

About 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide

3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide (PubChem CID 17488541) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide
PubChem CID17488541
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide
SMILESO=C(CCN1C(=O)COc2ccccc21)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C23H20N2O3/c26-22(14-15-25-20-12-6-7-13-21(20)28-16-23(25)27)24-19-11-5-4-10-18(19)17-8-2-1-3-9-17/h1-13H,14-16H2,(H,24,26)
InChIKeyWMKDZRSBCHPZJS-UHFFFAOYSA-N
XLogP4.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
N-(2,4-dimethylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191692
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 26813897
N-(5-acetamido-2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46463428
N-[2-(4-methylphenoxy)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26285561
N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 87007087
1-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-3-phenylthiourea
CID 24644106
N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 25341536
2,2-dimethyl-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoic acid
CID 119249168
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 6938465
4-methyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]pentanoic acid
CID 82033825
methyl (2R)-3-hydroxy-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]propanoate
CID 9278082

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide?
The IUPAC name of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide (CID 17488541) is 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide is O=C(CCN1C(=O)COc2ccccc21)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide?
The InChIKey is WMKDZRSBCHPZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(14-15-25-20-12-6-7-13-21(20)28-16-23(25)27)24-19-11-5-4-10-18(19)17-8-2-1-3-9-17/h1-13H,14-16H2,(H,24,26).
What are the key properties of 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide?
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide has a molecular weight of 372.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 17488541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).