1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide

C166H190N12O9 — CID 158138049

About 1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide

1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide (PubChem CID 158138049) has the molecular formula C166H190N12O9 and a molecular weight of 2497.42 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide
• PubChem CID: 158138049
• Molecular Formula: C166H190N12O9
• Molecular Weight: 2497.42 g/mol
• Exact Mass: 2495.48
• IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide
• SMILES: CNC(=O)C(C)(C)Oc1cccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C5CC5)c4)ccc32)c1.Cc1c(C)n(Cc2ccc(C(C)(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cccc(CC(C)C)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cccc(CNC(C)C)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cccc(C[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12
• InChI: InChI=1S/C34H39N3O3.C33H39N3O.C33H36N2O3.2C33H38N2O/c1-21-23(3)37(20-24-9-7-12-29(17-24)40-34(4,5)33(39)35-6)31-16-15-28(19-30(21)31)32(38)36-22(2)26-10-8-11-27(18-26)25-13-14-25;1-21(2)34-19-25-8-6-9-26(16-25)20-36-24(5)22(3)31-18-30(14-15-32(31)36)33(37)35-23(4)28-10-7-11-29(17-28)27-12-13-27;1-20(33(37)38)15-24-7-5-8-25(16-24)19-35-23(4)21(2)30-18-29(13-14-31(30)35)32(36)34-22(3)27-9-6-10-28(17-27)26-11-12-26;1-21-23(3)35(20-24-10-15-29(16-11-24)33(4,5)6)31-17-14-28(19-30(21)31)32(36)34-22(2)26-8-7-9-27(18-26)25-12-13-25;1-21(2)16-25-8-6-9-26(17-25)20-35-24(5)22(3)31-19-30(14-15-32(31)35)33(36)34-23(4)28-10-7-11-29(18-28)27-12-13-27/h7-12,15-19,22,25H,13-14,20H2,1-6H3,(H,35,39)(H,36,38);6-11,14-18,21,23,27,34H,12-13,19-20H2,1-5H3,(H,35,37);5-10,13-14,16-18,20,22,26H,11-12,15,19H2,1-4H3,(H,34,36)(H,37,38);7-11,14-19,22,25H,12-13,20H2,1-6H3,(H,34,36);6-11,14-15,17-19,21,23,27H,12-13,16,20H2,1-5H3,(H,34,36)/t22-;23-;20-,22+;22-;23-/m00100/s1
• InChIKey: FTPAYTIBRFSSMD-SSIFXPPDSA-N
• XLogP: 36.53
• TPSA: 257.81 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 41
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2497.42
LogP ≤ 5	36.53
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide?

The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide (CID 158138049) is 1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide.

What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide?

The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide is CNC(=O)C(C)(C)Oc1cccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C5CC5)c4)ccc32)c1.Cc1c(C)n(Cc2ccc(C(C)(C)C)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cccc(CC(C)C)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cccc(CNC(C)C)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.Cc1c(C)n(Cc2cccc(C[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.

What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide?

The InChIKey is FTPAYTIBRFSSMD-SSIFXPPDSA-N. The full InChI is InChI=1S/C34H39N3O3.C33H39N3O.C33H36N2O3.2C33H38N2O/c1-21-23(3)37(20-24-9-7-12-29(17-24)40-34(4,5)33(39)35-6)31-16-15-28(19-30(21)31)32(38)36-22(2)26-10-8-11-27(18-26)25-13-14-25;1-21(2)34-19-25-8-6-9-26(16-25)20-36-24(5)22(3)31-18-30(14-15-32(31)36)33(37)35-23(4)28-10-7-11-29(17-28)27-12-13-27;1-20(33(37)38)15-24-7-5-8-25(16-24)19-35-23(4)21(2)30-18-29(13-14-31(30)35)32(36)34-22(3)27-9-6-10-28(17-27)26-11-12-26;1-21-23(3)35(20-24-10-15-29(16-11-24)33(4,5)6)31-17-14-28(19-30(21)31)32(36)34-22(2)26-8-7-9-27(18-26)25-12-13-25;1-21(2)16-25-8-6-9-26(17-25)20-35-24(5)22(3)31-19-30(14-15-32(31)35)33(36)34-23(4)28-10-7-11-29(18-28)27-12-13-27/h7-12,15-19,22,25H,13-14,20H2,1-6H3,(H,35,39)(H,36,38);6-11,14-18,21,23,27,34H,12-13,19-20H2,1-5H3,(H,35,37);5-10,13-14,16-18,20,22,26H,11-12,15,19H2,1-4H3,(H,34,36)(H,37,38);7-11,14-19,22,25H,12-13,20H2,1-6H3,(H,34,36);6-11,14-15,17-19,21,23,27H,12-13,16,20H2,1-5H3,(H,34,36)/t22-;23-;20-,22+;22-;23-/m00100/s1.

What are the key properties of 1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide?

1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide has a molecular weight of 2497.42 g/mol, XLogP of 36.53, 41 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-tert-butylphenyl)methyl]-N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethylindole-5-carboxamide;(2R)-3-[3-[[5-[[(1S)-1-(3-cyclopropylphenyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]-2-methylpropanoic acid;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-(2-methylpropyl)phenyl]methyl]indole-5-carboxamide;N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-2,3-dimethyl-1-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]indole-5-carboxamide is sourced from PubChem (CID 158138049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).