(2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one

C165H164N14O13 — CID 158282984

About (2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one

(2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one (PubChem CID 158282984) has the molecular formula C165H164N14O13 and a molecular weight of 2551.21 g/mol. Its IUPAC name is (2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one.

Molecular Properties

• Compound Name: (2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one
• PubChem CID: 158282984
• Molecular Formula: C165H164N14O13
• Molecular Weight: 2551.21 g/mol
• Exact Mass: 2549.26
• IUPAC Name: (2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one
• SMILES: CC(=O)CCc1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)c1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)c1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(C(=O)O)ccc23)c2ccccc2)cc1
• InChI: InChI=1S/C29H30N2O2.2C28H29N3O2.2C27H26N2O2.C26H24N2O3/c1-20-8-11-22(12-9-20)16-17-30-28(24-6-4-3-5-7-24)29(33)26-19-31-27-18-23(13-10-21(2)32)14-15-25(26)27;2*1-3-29-28(33)22-13-14-23-24(18-31-25(23)17-22)27(32)26(21-7-5-4-6-8-21)30-16-15-20-11-9-19(2)10-12-20;2*1-18-8-10-20(11-9-18)14-15-28-26(21-6-4-3-5-7-21)27(31)24-17-29-25-16-22(19(2)30)12-13-23(24)25;1-17-7-9-18(10-8-17)13-14-27-24(19-5-3-2-4-6-19)25(29)22-16-28-23-15-20(26(30)31)11-12-21(22)23/h3-9,11-12,14-15,18-19,28,30-31H,10,13,16-17H2,1-2H3;2*4-14,17-18,26,30-31H,3,15-16H2,1-2H3,(H,29,33);2*3-13,16-17,26,28-29H,14-15H2,1-2H3;2-12,15-16,24,27-28H,13-14H2,1H3,(H,30,31)/t28-;4*26-;24-/m010101/s1
• InChIKey: GKKWFPVEQADZQI-ZQOWYTRASA-N
• XLogP: 31.52
• TPSA: 416.05 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 18
• Rotatable Bonds: 52
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2551.21
LogP ≤ 5	31.52
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one?

The IUPAC name of (2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one (CID 158282984) is (2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one.

What is the SMILES notation for (2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one?

The canonical SMILES for (2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one is CC(=O)CCc1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)c1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CC(=O)c1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@H](NCCc3ccc(C)cc3)c3ccccc3)c[nH]c2c1.Cc1ccc(CCN[C@@H](C(=O)c2c[nH]c3cc(C(=O)O)ccc23)c2ccccc2)cc1.

What is the InChIKey of (2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one?

The InChIKey is GKKWFPVEQADZQI-ZQOWYTRASA-N. The full InChI is InChI=1S/C29H30N2O2.2C28H29N3O2.2C27H26N2O2.C26H24N2O3/c1-20-8-11-22(12-9-20)16-17-30-28(24-6-4-3-5-7-24)29(33)26-19-31-27-18-23(13-10-21(2)32)14-15-25(26)27;2*1-3-29-28(33)22-13-14-23-24(18-31-25(23)17-22)27(32)26(21-7-5-4-6-8-21)30-16-15-20-11-9-19(2)10-12-20;2*1-18-8-10-20(11-9-18)14-15-28-26(21-6-4-3-5-7-21)27(31)24-17-29-25-16-22(19(2)30)12-13-23(24)25;1-17-7-9-18(10-8-17)13-14-27-24(19-5-3-2-4-6-19)25(29)22-16-28-23-15-20(26(30)31)11-12-21(22)23/h3-9,11-12,14-15,18-19,28,30-31H,10,13,16-17H2,1-2H3;2*4-14,17-18,26,30-31H,3,15-16H2,1-2H3,(H,29,33);2*3-13,16-17,26,28-29H,14-15H2,1-2H3;2-12,15-16,24,27-28H,13-14H2,1H3,(H,30,31)/t28-;4*26-;24-/m010101/s1.

What are the key properties of (2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one?

(2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one has a molecular weight of 2551.21 g/mol, XLogP of 31.52, 52 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;(2S)-1-(6-acetyl-1H-indol-3-yl)-2-[2-(4-methylphenyl)ethylamino]-2-phenylethanone;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;4-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]butan-2-one is sourced from PubChem (CID 158282984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).