3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C113H122F7N9O18 — CID 160583457

About 3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 160583457) has the molecular formula C113H122F7N9O18 and a molecular weight of 2027.25 g/mol. Its IUPAC name is 3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
• PubChem CID: 160583457
• Molecular Formula: C113H122F7N9O18
• Molecular Weight: 2027.25 g/mol
• Exact Mass: 2025.88
• IUPAC Name: 3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
• SMILES: CCC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.CCCCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.CCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.CCc1ncc(CCC(=O)Nc2ccc3c(c2)OCCO3)[nH]1.O=C(CCc1ccc(C(F)(F)F)c(F)c1)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C22H27NO3.C21H25NO3.C19H21NO3.C18H15F4NO3.C17H15F3N2O3.C16H19N3O3/c1-4-22(2,3)17-8-5-16(6-9-17)7-12-21(24)23-18-10-11-19-20(15-18)26-14-13-25-19;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;1-2-14-3-5-15(6-4-14)7-10-19(21)20-16-8-9-17-18(13-16)23-12-11-22-17;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;18-17(19,20)15-5-1-11(10-21-15)2-6-16(23)22-12-3-4-13-14(9-12)25-8-7-24-13;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/h5-6,8-11,15H,4,7,12-14H2,1-3H3,(H,23,24);5-8,10-11,15H,2-4,9,12-14H2,1H3,(H,22,23);3-6,8-9,13H,2,7,10-12H2,1H3,(H,20,21);1,3-5,9-10H,2,6-8H2,(H,23,24);1,3-5,9-10H,2,6-8H2,(H,22,23);3,5,9-10H,2,4,6-8H2,1H3,(H,17,18)(H,19,20)
• InChIKey: RCBWIMAMUBRJPX-UHFFFAOYSA-N
• XLogP: 22.62
• TPSA: 326.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2027.25
LogP ≤ 5	22.62
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?

The IUPAC name of 3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 160583457) is 3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

What is the SMILES notation for 3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?

The canonical SMILES for 3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CCC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.CCCCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.CCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.CCc1ncc(CCC(=O)Nc2ccc3c(c2)OCCO3)[nH]1.O=C(CCc1ccc(C(F)(F)F)c(F)c1)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of 3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?

The InChIKey is RCBWIMAMUBRJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3.C21H25NO3.C19H21NO3.C18H15F4NO3.C17H15F3N2O3.C16H19N3O3/c1-4-22(2,3)17-8-5-16(6-9-17)7-12-21(24)23-18-10-11-19-20(15-18)26-14-13-25-19;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;1-2-14-3-5-15(6-4-14)7-10-19(21)20-16-8-9-17-18(13-16)23-12-11-22-17;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;18-17(19,20)15-5-1-11(10-21-15)2-6-16(23)22-12-3-4-13-14(9-12)25-8-7-24-13;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/h5-6,8-11,15H,4,7,12-14H2,1-3H3,(H,23,24);5-8,10-11,15H,2-4,9,12-14H2,1H3,(H,22,23);3-6,8-9,13H,2,7,10-12H2,1H3,(H,20,21);1,3-5,9-10H,2,6-8H2,(H,23,24);1,3-5,9-10H,2,6-8H2,(H,22,23);3,5,9-10H,2,4,6-8H2,1H3,(H,17,18)(H,19,20).

What are the key properties of 3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?

3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 2027.25 g/mol, XLogP of 22.62, 31 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-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-(4-ethylphenyl)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-[4-(2-methylbutan-2-yl)phenyl]propanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 160583457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).