3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide

C114H123F4N9O19 — CID 159985708

About 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide

3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide (PubChem CID 159985708) has the molecular formula C114H123F4N9O19 and a molecular weight of 1999.27 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide
• PubChem CID: 159985708
• Molecular Formula: C114H123F4N9O19
• Molecular Weight: 1999.27 g/mol
• Exact Mass: 1997.89
• IUPAC Name: 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide
• SMILES: CC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CCCCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.CCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)o1.CCc1ncc(CCC(=O)Nc2ccc3c(c2)OCCO3)[nH]1.O=C(CCc1ccc(C(F)(F)F)c(F)c1)Nc1ccc2c(c1)OCCO2.O=C(CCc1cnc2ccccc2c1)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C22H27NO3.C21H25NO3.C20H18N2O3.C18H15F4NO3.C17H19NO4.C16H19N3O3/c1-15(16-5-7-17(8-6-16)22(2,3)4)13-21(24)23-18-9-10-19-20(14-18)26-12-11-25-19;1-2-3-4-16-5-7-17(8-6-16)9-12-21(23)22-18-10-11-19-20(15-18)25-14-13-24-19;23-20(22-16-6-7-18-19(12-16)25-10-9-24-18)8-5-14-11-15-3-1-2-4-17(15)21-13-14;19-14-9-11(1-4-13(14)18(20,21)22)2-6-17(24)23-12-3-5-15-16(10-12)26-8-7-25-15;1-2-13-4-5-14(22-13)6-8-17(19)18-12-3-7-15-16(11-12)21-10-9-20-15;1-2-15-17-10-12(18-15)4-6-16(20)19-11-3-5-13-14(9-11)22-8-7-21-13/h5-10,14-15H,11-13H2,1-4H3,(H,23,24);5-8,10-11,15H,2-4,9,12-14H2,1H3,(H,22,23);1-4,6-7,11-13H,5,8-10H2,(H,22,23);1,3-5,9-10H,2,6-8H2,(H,23,24);3-5,7,11H,2,6,8-10H2,1H3,(H,18,19);3,5,9-10H,2,4,6-8H2,1H3,(H,17,18)(H,19,20)
• InChIKey: OGHSCVHCJUUHJT-UHFFFAOYSA-N
• XLogP: 22.52
• TPSA: 340.07 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1999.27
LogP ≤ 5	22.52
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide?

The IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide (CID 159985708) is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide.

What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide?

The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide is CC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CCCCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.CCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)o1.CCc1ncc(CCC(=O)Nc2ccc3c(c2)OCCO3)[nH]1.O=C(CCc1ccc(C(F)(F)F)c(F)c1)Nc1ccc2c(c1)OCCO2.O=C(CCc1cnc2ccccc2c1)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide?

The InChIKey is OGHSCVHCJUUHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3.C21H25NO3.C20H18N2O3.C18H15F4NO3.C17H19NO4.C16H19N3O3/c1-15(16-5-7-17(8-6-16)22(2,3)4)13-21(24)23-18-9-10-19-20(14-18)26-12-11-25-19;1-2-3-4-16-5-7-17(8-6-16)9-12-21(23)22-18-10-11-19-20(15-18)25-14-13-24-19;23-20(22-16-6-7-18-19(12-16)25-10-9-24-18)8-5-14-11-15-3-1-2-4-17(15)21-13-14;19-14-9-11(1-4-13(14)18(20,21)22)2-6-17(24)23-12-3-5-15-16(10-12)26-8-7-25-15;1-2-13-4-5-14(22-13)6-8-17(19)18-12-3-7-15-16(11-12)21-10-9-20-15;1-2-15-17-10-12(18-15)4-6-16(20)19-11-3-5-13-14(9-11)22-8-7-21-13/h5-10,14-15H,11-13H2,1-4H3,(H,23,24);5-8,10-11,15H,2-4,9,12-14H2,1H3,(H,22,23);1-4,6-7,11-13H,5,8-10H2,(H,22,23);1,3-5,9-10H,2,6-8H2,(H,23,24);3-5,7,11H,2,6,8-10H2,1H3,(H,18,19);3,5,9-10H,2,4,6-8H2,1H3,(H,17,18)(H,19,20).

What are the key properties of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide?

3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide has a molecular weight of 1999.27 g/mol, XLogP of 22.52, 29 rotatable bonds, 7 hydrogen bond donors, and 21 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)butanamide;3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylpropanamide is sourced from PubChem (CID 159985708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).