3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C106H121F3N14O9 — CID 159325528

About 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide

3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 159325528) has the molecular formula C106H121F3N14O9 and a molecular weight of 1792.22 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
• PubChem CID: 159325528
• Molecular Formula: C106H121F3N14O9
• Molecular Weight: 1792.22 g/mol
• Exact Mass: 1790.94
• IUPAC Name: 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide
• SMILES: CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)c(-c2nn[nH]n2)c1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)nc1.CCN(CC)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1.Cc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c2ccccc2n1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2cccnc2c1
• InChI: InChI=1S/C23H26N2O.C23H32N2O.C22H25N5O3.C20H24N2O3.C18H14F3N3O/c1-16-15-21(19-7-5-6-8-20(19)24-16)25-22(26)14-11-17-9-12-18(13-10-17)23(2,3)4;1-6-25(7-2)21-15-13-20(14-16-21)24-22(26)17-10-18-8-11-19(12-9-18)23(3,4)5;1-22(2,3)15-6-4-14(17(12-15)21-24-26-27-25-21)5-9-20(28)23-16-7-8-18-19(13-16)30-11-10-29-18;1-20(2,3)14-4-5-15(21-13-14)7-9-19(23)22-16-6-8-17-18(12-16)25-11-10-24-17;19-18(20,21)16-7-3-12(11-23-16)4-8-17(25)24-14-6-5-13-2-1-9-22-15(13)10-14/h5-10,12-13,15H,11,14H2,1-4H3,(H,24,25,26);8-9,11-16H,6-7,10,17H2,1-5H3,(H,24,26);4,6-8,12-13H,5,9-11H2,1-3H3,(H,23,28)(H,24,25,26,27);4-6,8,12-13H,7,9-11H2,1-3H3,(H,22,23);1-3,5-7,9-11H,4,8H2,(H,24,25)
• InChIKey: LEHVMXANCPRBDK-UHFFFAOYSA-N
• XLogP: 22.26
• TPSA: 291.68 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1792.22
LogP ≤ 5	22.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?

The IUPAC name of 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 159325528) is 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?

The canonical SMILES for 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)c(-c2nn[nH]n2)c1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCCO3)nc1.CCN(CC)c1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1.Cc1cc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c2ccccc2n1.O=C(CCc1ccc(C(F)(F)F)nc1)Nc1ccc2cccnc2c1.

What is the InChIKey of 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?

The InChIKey is LEHVMXANCPRBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O.C23H32N2O.C22H25N5O3.C20H24N2O3.C18H14F3N3O/c1-16-15-21(19-7-5-6-8-20(19)24-16)25-22(26)14-11-17-9-12-18(13-10-17)23(2,3)4;1-6-25(7-2)21-15-13-20(14-16-21)24-22(26)17-10-18-8-11-19(12-9-18)23(3,4)5;1-22(2,3)15-6-4-14(17(12-15)21-24-26-27-25-21)5-9-20(28)23-16-7-8-18-19(13-16)30-11-10-29-18;1-20(2,3)14-4-5-15(21-13-14)7-9-19(23)22-16-6-8-17-18(12-16)25-11-10-24-17;19-18(20,21)16-7-3-12(11-23-16)4-8-17(25)24-14-6-5-13-2-1-9-22-15(13)10-14/h5-10,12-13,15H,11,14H2,1-4H3,(H,24,25,26);8-9,11-16H,6-7,10,17H2,1-5H3,(H,24,26);4,6-8,12-13H,5,9-11H2,1-3H3,(H,23,28)(H,24,25,26,27);4-6,8,12-13H,7,9-11H2,1-3H3,(H,22,23);1-3,5-7,9-11H,4,8H2,(H,24,25).

What are the key properties of 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide?

3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 1792.22 g/mol, XLogP of 22.26, 24 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-tert-butylphenyl)-N-[4-(diethylamino)phenyl]propanamide;3-(4-tert-butylphenyl)-N-(2-methylquinolin-4-yl)propanamide;3-(5-tert-butyl-2-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;3-[4-tert-butyl-2-(2H-tetrazol-5-yl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide;N-quinolin-7-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 159325528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).