3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide

C23H22N2O4 — CID 110309267

IUPAC3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(Cc2ccco2)C(=O)Nc2cccc3c2OCC(=O)N3C)cc1
InChIInChI=1S/C23H22N2O4/c1-15-8-10-16(11-9-15)18(13-17-5-4-12-28-17)23(27)24-19-6-3-7-20-22(19)29-14-21(26)25(20)2/h3-12,18H,13-14H2,1-2H3,(H,24,27)
InChIKeyOFNICNQQWMLOSM-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.91
Rot. Bonds5

About 3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide

3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide (PubChem CID 110309267) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide
PubChem CID110309267
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide
SMILESCc1ccc(C(Cc2ccco2)C(=O)Nc2cccc3c2OCC(=O)N3C)cc1
InChIInChI=1S/C23H22N2O4/c1-15-8-10-16(11-9-15)18(13-17-5-4-12-28-17)23(27)24-19-6-3-7-20-22(19)29-14-21(26)25(20)2/h3-12,18H,13-14H2,1-2H3,(H,24,27)
InChIKeyOFNICNQQWMLOSM-UHFFFAOYSA-N
XLogP3.91
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide?
The IUPAC name of 3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide (CID 110309267) is 3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide is Cc1ccc(C(Cc2ccco2)C(=O)Nc2cccc3c2OCC(=O)N3C)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide?
The InChIKey is OFNICNQQWMLOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-8-10-16(11-9-15)18(13-17-5-4-12-28-17)23(27)24-19-6-3-7-20-22(19)29-14-21(26)25(20)2/h3-12,18H,13-14H2,1-2H3,(H,24,27).
What are the key properties of 3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide?
3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide has a molecular weight of 390.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-(4-methylphenyl)propanamide is sourced from PubChem (CID 110309267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).