3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide

C101H138N8O10 — CID 160616974

About 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide

3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide (PubChem CID 160616974) has the molecular formula C101H138N8O10 and a molecular weight of 1624.26 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide
• PubChem CID: 160616974
• Molecular Formula: C101H138N8O10
• Molecular Weight: 1624.26 g/mol
• Exact Mass: 1623.05
• IUPAC Name: 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide
• SMILES: CC(C)(C)c1ccc(C(CCCN2CCCC2)CC(=O)Nc2ccc3c(c2)OCCO3)cc1.CC(C)N(C)CCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CN(C)CCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.Cc1cccnc1NC(=O)CCc1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C28H38N2O3.C28H40N2O3.C26H36N2O3.C19H24N2O/c1-28(2,3)23-10-8-21(9-11-23)22(7-6-16-30-14-4-5-15-30)19-27(31)29-24-12-13-25-26(20-24)33-18-17-32-25;1-20(2)30(6)15-7-8-22(21-9-11-23(12-10-21)28(3,4)5)18-27(31)29-24-13-14-25-26(19-24)33-17-16-32-25;1-26(2,3)21-10-8-19(9-11-21)20(7-6-14-28(4)5)17-25(29)27-22-12-13-23-24(18-22)31-16-15-30-23;1-14-6-5-13-20-18(14)21-17(22)12-9-15-7-10-16(11-8-15)19(2,3)4/h8-13,20,22H,4-7,14-19H2,1-3H3,(H,29,31);9-14,19-20,22H,7-8,15-18H2,1-6H3,(H,29,31);8-13,18,20H,6-7,14-17H2,1-5H3,(H,27,29);5-8,10-11,13H,9,12H2,1-4H3,(H,20,21,22)
• InChIKey: RGFJAUQPUNJLDU-UHFFFAOYSA-N
• XLogP: 21.20
• TPSA: 194.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 29
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.26
LogP ≤ 5	21.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide?

The IUPAC name of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide (CID 160616974) is 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide.

What is the SMILES notation for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide?

The canonical SMILES for 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide is CC(C)(C)c1ccc(C(CCCN2CCCC2)CC(=O)Nc2ccc3c(c2)OCCO3)cc1.CC(C)N(C)CCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CN(C)CCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.Cc1cccnc1NC(=O)CCc1ccc(C(C)(C)C)cc1.

What is the InChIKey of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide?

The InChIKey is RGFJAUQPUNJLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3.C28H40N2O3.C26H36N2O3.C19H24N2O/c1-28(2,3)23-10-8-21(9-11-23)22(7-6-16-30-14-4-5-15-30)19-27(31)29-24-12-13-25-26(20-24)33-18-17-32-25;1-20(2)30(6)15-7-8-22(21-9-11-23(12-10-21)28(3,4)5)18-27(31)29-24-13-14-25-26(19-24)33-17-16-32-25;1-26(2,3)21-10-8-19(9-11-21)20(7-6-14-28(4)5)17-25(29)27-22-12-13-23-24(18-22)31-16-15-30-23;1-14-6-5-13-20-18(14)21-17(22)12-9-15-7-10-16(11-8-15)19(2,3)4/h8-13,20,22H,4-7,14-19H2,1-3H3,(H,29,31);9-14,19-20,22H,7-8,15-18H2,1-6H3,(H,29,31);8-13,18,20H,6-7,14-17H2,1-5H3,(H,27,29);5-8,10-11,13H,9,12H2,1-4H3,(H,20,21,22).

What are the key properties of 3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide?

3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide has a molecular weight of 1624.26 g/mol, XLogP of 21.20, 29 rotatable bonds, 4 hydrogen bond donors, and 14 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)-6-(dimethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[methyl(propan-2-yl)amino]hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylhexanamide;3-(4-tert-butylphenyl)-N-(3-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 160616974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).