N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide

C153H137N9O20 — CID 161415831

About N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide

N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide (PubChem CID 161415831) has the molecular formula C153H137N9O20 and a molecular weight of 2421.82 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide.

Molecular Properties

• Compound Name: N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide
• PubChem CID: 161415831
• Molecular Formula: C153H137N9O20
• Molecular Weight: 2421.82 g/mol
• Exact Mass: 2420.00
• IUPAC Name: N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide
• SMILES: Cc1ccccc1CC(=O)C(Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1CCC2)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1OCCO2)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2ccncc12)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cnccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ccncc12)c1ccccc1
• InChI: InChI=1S/2C26H22N2O3.C26H22N2O2.C26H25NO3.C25H23NO5.C24H23NO4/c29-22-11-9-18(10-12-22)15-24(28-26(31)20-5-2-1-3-6-20)25(30)16-21-8-4-7-19-13-14-27-17-23(19)21;29-22-11-9-18(10-12-22)15-24(28-26(31)19-5-2-1-3-6-19)25(30)16-20-7-4-8-21-17-27-14-13-23(20)21;29-25(17-22-13-7-12-20-14-15-27-18-23(20)22)24(16-19-8-3-1-4-9-19)28-26(30)21-10-5-2-6-11-21;28-22-14-12-18(13-15-22)16-24(27-26(30)20-6-2-1-3-7-20)25(29)17-21-10-4-8-19-9-5-11-23(19)21;27-20-11-9-17(10-12-20)15-21(26-25(29)18-5-2-1-3-6-18)22(28)16-19-7-4-8-23-24(19)31-14-13-30-23;1-16-7-5-6-10-19(16)15-22(27)20(13-17-11-12-21(26)23(28)14-17)25-24(29)18-8-3-2-4-9-18/h2*1-14,17,24,29H,15-16H2,(H,28,31);1-15,18,24H,16-17H2,(H,28,30);1-4,6-8,10,12-15,24,28H,5,9,11,16-17H2,(H,27,30);1-12,21,27H,13-16H2,(H,26,29);2-12,14,20,26,28H,13,15H2,1H3,(H,25,29)
• InChIKey: VWBNTSHGRMGFGQ-UHFFFAOYSA-N
• XLogP: 23.48
• TPSA: 455.53 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 42
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2421.82
LogP ≤ 5	23.48
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide?

The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide (CID 161415831) is N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide.

What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide?

The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide is Cc1ccccc1CC(=O)C(Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1CCC2)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1OCCO2)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2ccncc12)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cnccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ccncc12)c1ccccc1.

What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide?

The InChIKey is VWBNTSHGRMGFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H22N2O3.C26H22N2O2.C26H25NO3.C25H23NO5.C24H23NO4/c29-22-11-9-18(10-12-22)15-24(28-26(31)20-5-2-1-3-6-20)25(30)16-21-8-4-7-19-13-14-27-17-23(19)21;29-22-11-9-18(10-12-22)15-24(28-26(31)19-5-2-1-3-6-19)25(30)16-20-7-4-8-21-17-27-14-13-23(20)21;29-25(17-22-13-7-12-20-14-15-27-18-23(20)22)24(16-19-8-3-1-4-9-19)28-26(30)21-10-5-2-6-11-21;28-22-14-12-18(13-15-22)16-24(27-26(30)20-6-2-1-3-7-20)25(29)17-21-10-4-8-19-9-5-11-23(19)21;27-20-11-9-17(10-12-20)15-21(26-25(29)18-5-2-1-3-6-18)22(28)16-19-7-4-8-23-24(19)31-14-13-30-23;1-16-7-5-6-10-19(16)15-22(27)20(13-17-11-12-21(26)23(28)14-17)25-24(29)18-8-3-2-4-9-18/h2*1-14,17,24,29H,15-16H2,(H,28,31);1-15,18,24H,16-17H2,(H,28,30);1-4,6-8,10,12-15,24,28H,5,9,11,16-17H2,(H,27,30);1-12,21,27H,13-16H2,(H,26,29);2-12,14,20,26,28H,13,15H2,1H3,(H,25,29).

What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide?

N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide has a molecular weight of 2421.82 g/mol, XLogP of 23.48, 42 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(3,4-dihydroxyphenyl)-4-(2-methylphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 161415831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).