3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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

C133H147F3N8O18 — CID 158007492

IUPAC3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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
SMILESCC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2cccnc2)cc1.CC(C)(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1.CCC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.CCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.Cc1cccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C28H31NO3.C26H28N2O3.C22H27NO3.C21H25NO3.C19H21NO3.C17H15F3N2O3/c1-19-6-5-7-21(16-19)24(20-8-10-22(11-9-20)28(2,3)4)18-27(30)29-23-12-13-25-26(17-23)32-15-14-31-25;1-26(2,3)20-8-6-18(7-9-20)22(19-5-4-12-27-17-19)16-25(29)28-21-10-11-23-24(15-21)31-14-13-30-23;1-4-22(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;1-21(2,3)16-6-8-17(9-7-16)22-20(23)11-5-15-4-10-18-19(14-15)25-13-12-24-18;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;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/h5-13,16-17,24H,14-15,18H2,1-4H3,(H,29,30);4-12,15,17,22H,13-14,16H2,1-3H3,(H,28,29);5-6,8-11,15H,4,7,12-14H2,1-3H3,(H,23,24);4,6-10,14H,5,11-13H2,1-3H3,(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,22,23)
InChIKeyFELYHULXQHVUPD-UHFFFAOYSA-N
MW2202.67 g/mol
LogP27.61
Rot. Bonds29

About 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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 158007492) has the molecular formula C133H147F3N8O18 and a molecular weight of 2202.67 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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 Name3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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 CID158007492
Molecular FormulaC133H147F3N8O18
Molecular Weight2202.67 g/mol
Exact Mass2201.08
IUPAC Name3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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
SMILESCC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2cccnc2)cc1.CC(C)(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1.CCC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.CCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.Cc1cccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C28H31NO3.C26H28N2O3.C22H27NO3.C21H25NO3.C19H21NO3.C17H15F3N2O3/c1-19-6-5-7-21(16-19)24(20-8-10-22(11-9-20)28(2,3)4)18-27(30)29-23-12-13-25-26(17-23)32-15-14-31-25;1-26(2,3)20-8-6-18(7-9-20)22(19-5-4-12-27-17-19)16-25(29)28-21-10-11-23-24(15-21)31-14-13-30-23;1-4-22(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;1-21(2,3)16-6-8-17(9-7-16)22-20(23)11-5-15-4-10-18-19(14-15)25-13-12-24-18;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;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/h5-13,16-17,24H,14-15,18H2,1-4H3,(H,29,30);4-12,15,17,22H,13-14,16H2,1-3H3,(H,28,29);5-6,8-11,15H,4,7,12-14H2,1-3H3,(H,23,24);4,6-10,14H,5,11-13H2,1-3H3,(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,22,23)
InChIKeyFELYHULXQHVUPD-UHFFFAOYSA-N
XLogP27.61
TPSA311.14 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002202.67
LogP ≤ 527.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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 with MolForge

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Related Compounds

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N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
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N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-[6-(4-pyridin-2-ylphenoxy)-3-pyridinyl]cyclopropane-1-carboxamide
CID 156014106

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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 158007492) is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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 CC(C)(C)c1ccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2cccnc2)cc1.CC(C)(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1.CCC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.CCc1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)cc1.Cc1cccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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 FELYHULXQHVUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO3.C26H28N2O3.C22H27NO3.C21H25NO3.C19H21NO3.C17H15F3N2O3/c1-19-6-5-7-21(16-19)24(20-8-10-22(11-9-20)28(2,3)4)18-27(30)29-23-12-13-25-26(17-23)32-15-14-31-25;1-26(2,3)20-8-6-18(7-9-20)22(19-5-4-12-27-17-19)16-25(29)28-21-10-11-23-24(15-21)31-14-13-30-23;1-4-22(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;1-21(2,3)16-6-8-17(9-7-16)22-20(23)11-5-15-4-10-18-19(14-15)25-13-12-24-18;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;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/h5-13,16-17,24H,14-15,18H2,1-4H3,(H,29,30);4-12,15,17,22H,13-14,16H2,1-3H3,(H,28,29);5-6,8-11,15H,4,7,12-14H2,1-3H3,(H,23,24);4,6-10,14H,5,11-13H2,1-3H3,(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,22,23).
What are the key properties of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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 2202.67 g/mol, XLogP of 27.61, 29 rotatable bonds, 6 hydrogen bond donors, and 20 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)-3-(3-methylphenyl)propanamide;N-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethylphenyl)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 158007492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).