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

C23H20N2O4 — CID 110390331

IUPAC3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide
SMILESO=C(CCc1ccc2c(c1)NC(=O)CO2)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c26-22(13-7-16-6-12-21-20(14-16)25-23(27)15-28-21)24-17-8-10-19(11-9-17)29-18-4-2-1-3-5-18/h1-6,8-12,14H,7,13,15H2,(H,24,26)(H,25,27)
InChIKeyNYOYWUNQTKAQQB-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.38
Rot. Bonds6

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

3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide (PubChem CID 110390331) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide
PubChem CID110390331
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide
SMILESO=C(CCc1ccc2c(c1)NC(=O)CO2)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C23H20N2O4/c26-22(13-7-16-6-12-21-20(14-16)25-23(27)15-28-21)24-17-8-10-19(11-9-17)29-18-4-2-1-3-5-18/h1-6,8-12,14H,7,13,15H2,(H,24,26)(H,25,27)
InChIKeyNYOYWUNQTKAQQB-UHFFFAOYSA-N
XLogP4.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 110390284
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770336
N-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 110390327
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110390306
N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide
CID 110390265
4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
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
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of 3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide (CID 110390331) is 3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for 3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide is O=C(CCc1ccc2c(c1)NC(=O)CO2)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide?
The InChIKey is NYOYWUNQTKAQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-22(13-7-16-6-12-21-20(14-16)25-23(27)15-28-21)24-17-8-10-19(11-9-17)29-18-4-2-1-3-5-18/h1-6,8-12,14H,7,13,15H2,(H,24,26)(H,25,27).
What are the key properties of 3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide?
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide has a molecular weight of 388.42 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 110390331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).