3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide

C174H216F3N15O13 — CID 161044887

About 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide

3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 161044887) has the molecular formula C174H216F3N15O13 and a molecular weight of 2782.73 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide
• PubChem CID: 161044887
• Molecular Formula: C174H216F3N15O13
• Molecular Weight: 2782.73 g/mol
• Exact Mass: 2780.67
• IUPAC Name: 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide
• SMILES: CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)CCC3)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2cccc(C(N)=O)c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2cccc3c2CCCC3)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1.CC(C)N(C)CCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.Cc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C.Cc1cccnc1NC(=O)CCc1ccc(C(C)(C)C)cc1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCOCC1)Nc1ccc2[nH]ccc2c1
• InChI: InChI=1S/C28H40N2O3.C23H29NO.C22H27NO.C21H21F3N4O2.C21H27NO.2C20H24N2O2.C19H24N2O/c1-20(2)30(6)15-7-8-22(21-9-11-23(12-10-21)28(3,4)5)18-27(31)29-24-13-14-25-26(19-24)33-17-16-32-25;1-23(2,3)19-14-11-17(12-15-19)13-16-22(25)24-21-10-6-8-18-7-4-5-9-20(18)21;1-22(2,3)19-11-7-16(8-12-19)9-14-21(24)23-20-13-10-17-5-4-6-18(17)15-20;22-21(23,24)18-5-1-14(20(27-18)28-9-11-30-12-10-28)2-6-19(29)26-16-3-4-17-15(13-16)7-8-25-17;1-15-6-12-19(14-16(15)2)22-20(23)13-9-17-7-10-18(11-8-17)21(3,4)5;1-20(2,3)16-10-7-14(8-11-16)9-12-18(23)22-17-6-4-5-15(13-17)19(21)24;1-20(2,3)15-11-8-14(9-12-15)10-13-18(23)22-17-7-5-4-6-16(17)19(21)24;1-14-6-5-13-20-18(14)21-17(22)12-9-15-7-10-16(11-8-15)19(2,3)4/h9-14,19-20,22H,7-8,15-18H2,1-6H3,(H,29,31);6,8,10-12,14-15H,4-5,7,9,13,16H2,1-3H3,(H,24,25);7-8,10-13,15H,4-6,9,14H2,1-3H3,(H,23,24);1,3-5,7-8,13,25H,2,6,9-12H2,(H,26,29);6-8,10-12,14H,9,13H2,1-5H3,(H,22,23);4-8,10-11,13H,9,12H2,1-3H3,(H2,21,24)(H,22,23);4-9,11-12H,10,13H2,1-3H3,(H2,21,24)(H,22,23);5-8,10-11,13H,9,12H2,1-4H3,(H,20,21,22)
• InChIKey: UBJHYGVNTVKECU-UHFFFAOYSA-N
• XLogP: 37.20
• TPSA: 394.72 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Rotatable Bonds: 40
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2782.73
LogP ≤ 5	37.20
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide?

The IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 161044887) is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide.

What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide?

The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)CCC3)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2cccc(C(N)=O)c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2cccc3c2CCCC3)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(N)=O)cc1.CC(C)N(C)CCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.Cc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1C.Cc1cccnc1NC(=O)CCc1ccc(C(C)(C)C)cc1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCOCC1)Nc1ccc2[nH]ccc2c1.

What is the InChIKey of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide?

The InChIKey is UBJHYGVNTVKECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O3.C23H29NO.C22H27NO.C21H21F3N4O2.C21H27NO.2C20H24N2O2.C19H24N2O/c1-20(2)30(6)15-7-8-22(21-9-11-23(12-10-21)28(3,4)5)18-27(31)29-24-13-14-25-26(19-24)33-17-16-32-25;1-23(2,3)19-14-11-17(12-15-19)13-16-22(25)24-21-10-6-8-18-7-4-5-9-20(18)21;1-22(2,3)19-11-7-16(8-12-19)9-14-21(24)23-20-13-10-17-5-4-6-18(17)15-20;22-21(23,24)18-5-1-14(20(27-18)28-9-11-30-12-10-28)2-6-19(29)26-16-3-4-17-15(13-16)7-8-25-17;1-15-6-12-19(14-16(15)2)22-20(23)13-9-17-7-10-18(11-8-17)21(3,4)5;1-20(2,3)16-10-7-14(8-11-16)9-12-18(23)22-17-6-4-5-15(13-17)19(21)24;1-20(2,3)15-11-8-14(9-12-15)10-13-18(23)22-17-7-5-4-6-16(17)19(21)24;1-14-6-5-13-20-18(14)21-17(22)12-9-15-7-10-16(11-8-15)19(2,3)4/h9-14,19-20,22H,7-8,15-18H2,1-6H3,(H,29,31);6,8,10-12,14-15H,4-5,7,9,13,16H2,1-3H3,(H,24,25);7-8,10-13,15H,4-6,9,14H2,1-3H3,(H,23,24);1,3-5,7-8,13,25H,2,6,9-12H2,(H,26,29);6-8,10-12,14H,9,13H2,1-5H3,(H,22,23);4-8,10-11,13H,9,12H2,1-3H3,(H2,21,24)(H,22,23);4-9,11-12H,10,13H2,1-3H3,(H2,21,24)(H,22,23);5-8,10-11,13H,9,12H2,1-4H3,(H,20,21,22).

What are the key properties of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide?

3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 2782.73 g/mol, XLogP of 37.20, 40 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide;3-(4-tert-butylphenyl)-N-(3,4-dimethylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide;2-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-[3-(4-tert-butylphenyl)propanoylamino]benzamide;3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide;N-(1H-indol-5-yl)-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 161044887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).