3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide

C138H186N12O13 — CID 157326780

About 3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide

3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide (PubChem CID 157326780) has the molecular formula C138H186N12O13 and a molecular weight of 2221.08 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide
• PubChem CID: 157326780
• Molecular Formula: C138H186N12O13
• Molecular Weight: 2221.08 g/mol
• Exact Mass: 2219.43
• IUPAC Name: 3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide
• SMILES: CC(C)(C)c1ccc(C(CCCN2CCCCC2)CC(=O)Nc2ccc3c(c2)OCCO3)cc1.CC(C)(C)c1ccc(C(CCCn2ccnc2)CC(=O)Nc2ccc3[nH]ccc3c2)cc1.CCN(CC)CCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CCN1CCC(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)CC1.CCNCCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C29H40N2O3.C28H38N2O3.C28H40N2O3.C27H32N4O.C26H36N2O3/c1-29(2,3)24-11-9-22(10-12-24)23(8-7-17-31-15-5-4-6-16-31)20-28(32)30-25-13-14-26-27(21-25)34-19-18-33-26;1-5-30-14-12-21(13-15-30)24(20-6-8-22(9-7-20)28(2,3)4)19-27(31)29-23-10-11-25-26(18-23)33-17-16-32-25;1-6-30(7-2)16-8-9-22(21-10-12-23(13-11-21)28(3,4)5)19-27(31)29-24-14-15-25-26(20-24)33-18-17-32-25;1-27(2,3)23-8-6-20(7-9-23)21(5-4-15-31-16-14-28-19-31)18-26(32)30-24-10-11-25-22(17-24)12-13-29-25;1-5-27-14-6-7-20(19-8-10-21(11-9-19)26(2,3)4)17-25(29)28-22-12-13-23-24(18-22)31-16-15-30-23/h9-14,21,23H,4-8,15-20H2,1-3H3,(H,30,32);6-11,18,21,24H,5,12-17,19H2,1-4H3,(H,29,31);10-15,20,22H,6-9,16-19H2,1-5H3,(H,29,31);6-14,16-17,19,21,29H,4-5,15,18H2,1-3H3,(H,30,32);8-13,18,20,27H,5-7,14-17H2,1-4H3,(H,28,29)
• InChIKey: BEUYSMIYJXDNNS-UHFFFAOYSA-N
• XLogP: 29.24
• TPSA: 274.70 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 41
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.08
LogP ≤ 5	29.24
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide?

The IUPAC name of 3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide (CID 157326780) is 3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide.

What is the SMILES notation for 3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide?

The canonical SMILES for 3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide is CC(C)(C)c1ccc(C(CCCN2CCCCC2)CC(=O)Nc2ccc3c(c2)OCCO3)cc1.CC(C)(C)c1ccc(C(CCCn2ccnc2)CC(=O)Nc2ccc3[nH]ccc3c2)cc1.CCN(CC)CCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CCN1CCC(C(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)CC1.CCNCCCC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.

What is the InChIKey of 3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide?

The InChIKey is BEUYSMIYJXDNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O3.C28H38N2O3.C28H40N2O3.C27H32N4O.C26H36N2O3/c1-29(2,3)24-11-9-22(10-12-24)23(8-7-17-31-15-5-4-6-16-31)20-28(32)30-25-13-14-26-27(21-25)34-19-18-33-26;1-5-30-14-12-21(13-15-30)24(20-6-8-22(9-7-20)28(2,3)4)19-27(31)29-23-10-11-25-26(18-23)33-17-16-32-25;1-6-30(7-2)16-8-9-22(21-10-12-23(13-11-21)28(3,4)5)19-27(31)29-24-14-15-25-26(20-24)33-18-17-32-25;1-27(2,3)23-8-6-20(7-9-23)21(5-4-15-31-16-14-28-19-31)18-26(32)30-24-10-11-25-22(17-24)12-13-29-25;1-5-27-14-6-7-20(19-8-10-21(11-9-19)26(2,3)4)17-25(29)28-22-12-13-23-24(18-22)31-16-15-30-23/h9-14,21,23H,4-8,15-20H2,1-3H3,(H,30,32);6-11,18,21,24H,5,12-17,19H2,1-4H3,(H,29,31);10-15,20,22H,6-9,16-19H2,1-5H3,(H,29,31);6-14,16-17,19,21,29H,4-5,15,18H2,1-3H3,(H,30,32);8-13,18,20,27H,5-7,14-17H2,1-4H3,(H,28,29).

What are the key properties of 3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide?

3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide has a molecular weight of 2221.08 g/mol, XLogP of 29.24, 41 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hexanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-ethylpiperidin-4-yl)propanamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhexanamide;3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hexanamide is sourced from PubChem (CID 157326780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).