N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide

C149H158F10N16O10 — CID 160982123

About N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide

N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide (PubChem CID 160982123) has the molecular formula C149H158F10N16O10 and a molecular weight of 2522.98 g/mol. Its IUPAC name is N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide.

Molecular Properties

• Compound Name: N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
• PubChem CID: 160982123
• Molecular Formula: C149H158F10N16O10
• Molecular Weight: 2522.98 g/mol
• Exact Mass: 2521.22
• IUPAC Name: N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide
• SMILES: CC(=O)Nc1ccc(C)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)CC3)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1.Cc1c(NC(=O)CCc2ccc(C(C)(C)C)cc2)[nH]c2ccccc12.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1
• InChI: InChI=1S/C25H27NO2.C23H23F3N4O.C22H28N2O2.C22H26N2O.C21H25N3O2.C18H14F4N2O.C18H15F3N2O/c1-25(2,3)20-15-12-19(13-16-20)14-17-24(27)26-21-8-7-11-23(18-21)28-22-9-5-4-6-10-22;24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;1-15-6-12-19(23-16(2)25)20(14-15)24-21(26)13-9-17-7-10-18(11-8-17)22(3,4)5;1-15-18-7-5-6-8-19(18)23-21(15)24-20(25)14-11-16-9-12-17(13-10-16)22(2,3)4;1-21(2,3)18-9-4-14(13-22-18)5-10-19(25)23-16-8-6-15-7-11-20(26)24-17(15)12-16;19-15-9-13(18(20,21)22)4-1-11(15)3-6-17(25)24-14-5-2-12-7-8-23-16(12)10-14;19-18(20,21)14-4-1-12(2-5-14)3-8-17(24)23-15-6-7-16-13(11-15)9-10-22-16/h4-13,15-16,18H,14,17H2,1-3H3,(H,26,27);4-7,9-10,12,15H,1-3,8,11,13-14H2,(H,28,31);6-8,10-12,14H,9,13H2,1-5H3,(H,23,25)(H,24,26);5-10,12-13,23H,11,14H2,1-4H3,(H,24,25);4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,23,25)(H,24,26);1-2,4-5,7-10,23H,3,6H2,(H,24,25);1-2,4-7,9-11,22H,3,8H2,(H,23,24)
• InChIKey: SZQOOCNTKNJVFS-UHFFFAOYSA-N
• XLogP: 35.22
• TPSA: 360.41 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2522.98
LogP ≤ 5	35.22
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?

The IUPAC name of N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide (CID 160982123) is N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide.

What is the SMILES notation for N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?

The canonical SMILES for N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide is CC(=O)Nc1ccc(C)cc1NC(=O)CCc1ccc(C(C)(C)C)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)CC3)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1.Cc1c(NC(=O)CCc2ccc(C(C)(C)C)cc2)[nH]c2ccccc12.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1F)Nc1ccc2cc[nH]c2c1.O=C(CCc1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1.

What is the InChIKey of N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?

The InChIKey is SZQOOCNTKNJVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2.C23H23F3N4O.C22H28N2O2.C22H26N2O.C21H25N3O2.C18H14F4N2O.C18H15F3N2O/c1-25(2,3)20-15-12-19(13-16-20)14-17-24(27)26-21-8-7-11-23(18-21)28-22-9-5-4-6-10-22;24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;1-15-6-12-19(23-16(2)25)20(14-15)24-21(26)13-9-17-7-10-18(11-8-17)22(3,4)5;1-15-18-7-5-6-8-19(18)23-21(15)24-20(25)14-11-16-9-12-17(13-10-16)22(2,3)4;1-21(2,3)18-9-4-14(13-22-18)5-10-19(25)23-16-8-6-15-7-11-20(26)24-17(15)12-16;19-15-9-13(18(20,21)22)4-1-11(15)3-6-17(25)24-14-5-2-12-7-8-23-16(12)10-14;19-18(20,21)14-4-1-12(2-5-14)3-8-17(24)23-15-6-7-16-13(11-15)9-10-22-16/h4-13,15-16,18H,14,17H2,1-3H3,(H,26,27);4-7,9-10,12,15H,1-3,8,11,13-14H2,(H,28,31);6-8,10-12,14H,9,13H2,1-5H3,(H,23,25)(H,24,26);5-10,12-13,23H,11,14H2,1-4H3,(H,24,25);4,6,8-9,12-13H,5,7,10-11H2,1-3H3,(H,23,25)(H,24,26);1-2,4-5,7-10,23H,3,6H2,(H,24,25);1-2,4-7,9-11,22H,3,8H2,(H,23,24).

What are the key properties of N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide?

N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide has a molecular weight of 2522.98 g/mol, XLogP of 35.22, 32 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamido-5-methylphenyl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methyl-1H-indol-2-yl)propanamide;3-(4-tert-butylphenyl)-N-(3-phenoxyphenyl)propanamide;3-(6-tert-butyl-3-pyridinyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanamide;3-[2-fluoro-4-(trifluoromethyl)phenyl]-N-(1H-indol-6-yl)propanamide;N-(1H-indol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylpropanamide is sourced from PubChem (CID 160982123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).