N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide

C156H141N9O16 — CID 157187944

IUPACN-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1CCC2)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1CCCC2)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cccnc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C27H27NO3.3C26H22N2O2.C26H25NO3.C25H23NO4/c29-23-15-13-19(14-16-23)17-25(28-27(31)21-8-2-1-3-9-21)26(30)18-22-11-6-10-20-7-4-5-12-24(20)22;29-25(18-21-13-7-15-23-22(21)14-8-16-27-23)24(17-19-9-3-1-4-10-19)28-26(30)20-11-5-2-6-12-20;29-24(18-22-14-7-13-20-15-8-16-27-25(20)22)23(17-19-9-3-1-4-10-19)28-26(30)21-11-5-2-6-12-21;29-25(17-21-12-7-13-22-18-27-15-14-23(21)22)24(16-19-8-3-1-4-9-19)28-26(30)20-10-5-2-6-11-20;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;27-22(17-20-12-7-13-23-24(20)30-15-14-29-23)21(16-18-8-3-1-4-9-18)26-25(28)19-10-5-2-6-11-19/h1-3,6,8-11,13-16,25,29H,4-5,7,12,17-18H2,(H,28,31);1-16,24H,17-18H2,(H,28,30);1-16,23H,17-18H2,(H,28,30);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);1-13,21H,14-17H2,(H,26,28)
InChIKeyAPIPFDQYWPCIFH-UHFFFAOYSA-N
MW2397.89 g/mol
LogP25.23
Rot. Bonds42

About N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide

N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide (PubChem CID 157187944) has the molecular formula C156H141N9O16 and a molecular weight of 2397.89 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide
PubChem CID157187944
Molecular FormulaC156H141N9O16
Molecular Weight2397.89 g/mol
Exact Mass2396.05
IUPAC NameN-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1CCC2)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1CCCC2)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cccnc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12)c1ccccc1
InChIInChI=1S/C27H27NO3.3C26H22N2O2.C26H25NO3.C25H23NO4/c29-23-15-13-19(14-16-23)17-25(28-27(31)21-8-2-1-3-9-21)26(30)18-22-11-6-10-20-7-4-5-12-24(20)22;29-25(18-21-13-7-15-23-22(21)14-8-16-27-23)24(17-19-9-3-1-4-10-19)28-26(30)20-11-5-2-6-12-20;29-24(18-22-14-7-13-20-15-8-16-27-25(20)22)23(17-19-9-3-1-4-10-19)28-26(30)21-11-5-2-6-12-21;29-25(17-21-12-7-13-22-18-27-15-14-23(21)22)24(16-19-8-3-1-4-9-19)28-26(30)20-10-5-2-6-11-20;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;27-22(17-20-12-7-13-23-24(20)30-15-14-29-23)21(16-18-8-3-1-4-9-18)26-25(28)19-10-5-2-6-11-19/h1-3,6,8-11,13-16,25,29H,4-5,7,12,17-18H2,(H,28,31);1-16,24H,17-18H2,(H,28,30);1-16,23H,17-18H2,(H,28,30);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);1-13,21H,14-17H2,(H,26,28)
InChIKeyAPIPFDQYWPCIFH-UHFFFAOYSA-N
XLogP25.23
TPSA374.61 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds42
Heavy Atoms181
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002397.89
LogP ≤ 525.23
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide?
The IUPAC name of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide (CID 157187944) is N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide?
The canonical SMILES for N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide is O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1CCC2)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2c1CCCC2)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2c1OCCO2)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cccnc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ncccc12)c1ccccc1.
What is the InChIKey of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide?
The InChIKey is APIPFDQYWPCIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3.3C26H22N2O2.C26H25NO3.C25H23NO4/c29-23-15-13-19(14-16-23)17-25(28-27(31)21-8-2-1-3-9-21)26(30)18-22-11-6-10-20-7-4-5-12-24(20)22;29-25(18-21-13-7-15-23-22(21)14-8-16-27-23)24(17-19-9-3-1-4-10-19)28-26(30)20-11-5-2-6-12-20;29-24(18-22-14-7-13-20-15-8-16-27-25(20)22)23(17-19-9-3-1-4-10-19)28-26(30)21-11-5-2-6-12-21;29-25(17-21-12-7-13-22-18-27-15-14-23(21)22)24(16-19-8-3-1-4-9-19)28-26(30)20-10-5-2-6-11-20;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;27-22(17-20-12-7-13-23-24(20)30-15-14-29-23)21(16-18-8-3-1-4-9-18)26-25(28)19-10-5-2-6-11-19/h1-3,6,8-11,13-16,25,29H,4-5,7,12,17-18H2,(H,28,31);1-16,24H,17-18H2,(H,28,30);1-16,23H,17-18H2,(H,28,30);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);1-13,21H,14-17H2,(H,26,28).
What are the key properties of N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide?
N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide has a molecular weight of 2397.89 g/mol, XLogP of 25.23, 42 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2,3-dihydro-1H-inden-4-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-yl]benzamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-5-ylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-quinolin-8-ylbutan-2-yl)benzamide is sourced from PubChem (CID 157187944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).