3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide

C165H182F3N13O17 — CID 158669371

About 3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide

3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 158669371) has the molecular formula C165H182F3N13O17 and a molecular weight of 2676.34 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide
• PubChem CID: 158669371
• Molecular Formula: C165H182F3N13O17
• Molecular Weight: 2676.34 g/mol
• Exact Mass: 2674.37
• IUPAC Name: 3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide
• SMILES: CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc[nH]2)cc1.CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2cccc(CN3CCOCC3)c2)cc1.CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccn2)cc1.CCN(CC)Cc1cccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.Cc1ccc(C(CC(=O)Nc2ccc3[nH]ccc3c2)c2ccc(C(C)(C)C)cc2)cn1.O=C(CC(c1ccc(C(F)(F)F)cc1)c1cccnc1)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C32H38N2O4.C32H40N2O3.C27H29N3O.C26H28N2O3.C25H28N2O3.C23H19F3N2O3/c1-32(2,3)26-9-7-24(8-10-26)28(25-6-4-5-23(19-25)22-34-13-15-36-16-14-34)21-31(35)33-27-11-12-29-30(20-27)38-18-17-37-29;1-6-34(7-2)22-23-9-8-10-25(19-23)28(24-11-13-26(14-12-24)32(3,4)5)21-31(35)33-27-15-16-29-30(20-27)37-18-17-36-29;1-18-5-6-21(17-29-18)24(19-7-9-22(10-8-19)27(2,3)4)16-26(31)30-23-11-12-25-20(15-23)13-14-28-25;1-26(2,3)19-9-7-18(8-10-19)21(22-6-4-5-13-27-22)17-25(29)28-20-11-12-23-24(16-20)31-15-14-30-23;1-25(2,3)18-8-6-17(7-9-18)20(21-5-4-12-26-21)16-24(28)27-19-10-11-22-23(15-19)30-14-13-29-22;24-23(25,26)17-5-3-15(4-6-17)19(16-2-1-9-27-14-16)13-22(29)28-18-7-8-20-21(12-18)31-11-10-30-20/h4-12,19-20,28H,13-18,21-22H2,1-3H3,(H,33,35);8-16,19-20,28H,6-7,17-18,21-22H2,1-5H3,(H,33,35);5-15,17,24,28H,16H2,1-4H3,(H,30,31);4-13,16,21H,14-15,17H2,1-3H3,(H,28,29);4-12,15,20,26H,13-14,16H2,1-3H3,(H,27,28);1-9,12,14,19H,10-11,13H2,(H,28,29)
• InChIKey: IDTKTJSFRBBZNS-UHFFFAOYSA-N
• XLogP: 34.42
• TPSA: 352.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 36
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2676.34
LogP ≤ 5	34.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide?

The IUPAC name of 3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide (CID 158669371) is 3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide.

What is the SMILES notation for 3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide?

The canonical SMILES for 3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide is CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc[nH]2)cc1.CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2cccc(CN3CCOCC3)c2)cc1.CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccn2)cc1.CCN(CC)Cc1cccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.Cc1ccc(C(CC(=O)Nc2ccc3[nH]ccc3c2)c2ccc(C(C)(C)C)cc2)cn1.O=C(CC(c1ccc(C(F)(F)F)cc1)c1cccnc1)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of 3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide?

The InChIKey is IDTKTJSFRBBZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O4.C32H40N2O3.C27H29N3O.C26H28N2O3.C25H28N2O3.C23H19F3N2O3/c1-32(2,3)26-9-7-24(8-10-26)28(25-6-4-5-23(19-25)22-34-13-15-36-16-14-34)21-31(35)33-27-11-12-29-30(20-27)38-18-17-37-29;1-6-34(7-2)22-23-9-8-10-25(19-23)28(24-11-13-26(14-12-24)32(3,4)5)21-31(35)33-27-15-16-29-30(20-27)37-18-17-36-29;1-18-5-6-21(17-29-18)24(19-7-9-22(10-8-19)27(2,3)4)16-26(31)30-23-11-12-25-20(15-23)13-14-28-25;1-26(2,3)19-9-7-18(8-10-19)21(22-6-4-5-13-27-22)17-25(29)28-20-11-12-23-24(16-20)31-15-14-30-23;1-25(2,3)18-8-6-17(7-9-18)20(21-5-4-12-26-21)16-24(28)27-19-10-11-22-23(15-19)30-14-13-29-22;24-23(25,26)17-5-3-15(4-6-17)19(16-2-1-9-27-14-16)13-22(29)28-18-7-8-20-21(12-18)31-11-10-30-20/h4-12,19-20,28H,13-18,21-22H2,1-3H3,(H,33,35);8-16,19-20,28H,6-7,17-18,21-22H2,1-5H3,(H,33,35);5-15,17,24,28H,16H2,1-4H3,(H,30,31);4-13,16,21H,14-15,17H2,1-3H3,(H,28,29);4-12,15,20,26H,13-14,16H2,1-3H3,(H,27,28);1-9,12,14,19H,10-11,13H2,(H,28,29).

What are the key properties of 3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide?

3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 2676.34 g/mol, XLogP of 34.42, 36 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylpropanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 158669371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).