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

C146H158F3N9O18 — CID 158241665

IUPAC3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;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(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccncc2)cc1.CC(C)(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1.Cc1cccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.Cc1ccccc1C(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/2C28H31NO3.2C26H28N2O3.C21H25NO3.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;1-19-7-5-6-8-23(19)24(20-9-11-21(12-10-20)28(2,3)4)18-27(30)29-22-13-14-25-26(17-22)32-16-15-31-25;1-26(2,3)20-6-4-18(5-7-20)22(19-10-12-27-13-11-19)17-25(29)28-21-8-9-23-24(16-21)31-15-14-30-23;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;1-21(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;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);5-14,17,24H,15-16,18H2,1-4H3,(H,29,30);4-13,16,22H,14-15,17H2,1-3H3,(H,28,29);4-12,15,17,22H,13-14,16H2,1-3H3,(H,28,29);4,6-10,14H,5,11-13H2,1-3H3,(H,22,23);1,3-5,9-10H,2,6-8H2,(H,22,23)
InChIKeyGFPOGDJUYILZHM-UHFFFAOYSA-N
MW2383.91 g/mol
LogP30.84
Rot. Bonds28

About 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;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-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 158241665) has the molecular formula C146H158F3N9O18 and a molecular weight of 2383.91 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;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-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID158241665
Molecular FormulaC146H158F3N9O18
Molecular Weight2383.91 g/mol
Exact Mass2382.17
IUPAC Name3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;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(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccncc2)cc1.CC(C)(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1.Cc1cccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.Cc1ccccc1C(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/2C28H31NO3.2C26H28N2O3.C21H25NO3.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;1-19-7-5-6-8-23(19)24(20-9-11-21(12-10-20)28(2,3)4)18-27(30)29-22-13-14-25-26(17-22)32-16-15-31-25;1-26(2,3)20-6-4-18(5-7-20)22(19-10-12-27-13-11-19)17-25(29)28-21-8-9-23-24(16-21)31-15-14-30-23;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;1-21(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;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);5-14,17,24H,15-16,18H2,1-4H3,(H,29,30);4-13,16,22H,14-15,17H2,1-3H3,(H,28,29);4-12,15,17,22H,13-14,16H2,1-3H3,(H,28,29);4,6-10,14H,5,11-13H2,1-3H3,(H,22,23);1,3-5,9-10H,2,6-8H2,(H,22,23)
InChIKeyGFPOGDJUYILZHM-UHFFFAOYSA-N
XLogP30.84
TPSA324.03 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms176
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002383.91
LogP ≤ 530.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;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-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 158241665) is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;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-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;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-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;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(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccncc2)cc1.CC(C)(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1.Cc1cccc(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.Cc1ccccc1C(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.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-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is GFPOGDJUYILZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H31NO3.2C26H28N2O3.C21H25NO3.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;1-19-7-5-6-8-23(19)24(20-9-11-21(12-10-20)28(2,3)4)18-27(30)29-22-13-14-25-26(17-22)32-16-15-31-25;1-26(2,3)20-6-4-18(5-7-20)22(19-10-12-27-13-11-19)17-25(29)28-21-8-9-23-24(16-21)31-15-14-30-23;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;1-21(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;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);5-14,17,24H,15-16,18H2,1-4H3,(H,29,30);4-13,16,22H,14-15,17H2,1-3H3,(H,28,29);4-12,15,17,22H,13-14,16H2,1-3H3,(H,28,29);4,6-10,14H,5,11-13H2,1-3H3,(H,22,23);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-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;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-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 2383.91 g/mol, XLogP of 30.84, 28 rotatable bonds, 6 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)-3-(2-methylphenyl)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;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 158241665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).