N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone

C161H174N20O11 — CID 157266919

IUPACN-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone
SMILESCCNC(=O)c1ccc2c(C(=O)[C@@H](C)NCCc3ccc(C)cc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@H](C)NCCc3ccc(C)cc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)c[nH]c2c1.Cc1ccc(CCN[C@@H](C(=O)c2n[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1
InChIInChI=1S/3C29H31N3O2.C28H27N5O.2C23H27N3O2/c3*1-4-30-29(34)23-14-15-24-25(18-31-26(24)16-23)28(33)27(22-8-6-5-7-9-22)32-17-20(3)21-12-10-19(2)11-13-21;1-19-8-10-20(11-9-19)14-15-29-26(21-6-4-3-5-7-21)28(34)27-24-13-12-22(16-25(24)31-32-27)23-17-30-33(2)18-23;2*1-4-24-23(28)18-9-10-19-20(14-26-21(19)13-18)22(27)16(3)25-12-11-17-7-5-15(2)6-8-17/h3*5-16,18,20,27,31-32H,4,17H2,1-3H3,(H,30,34);3-13,16-18,26,29H,14-15H2,1-2H3,(H,31,32);2*5-10,13-14,16,25-26H,4,11-12H2,1-3H3,(H,24,28)/t2*20-,27+;20-,27-;26-;2*16-/m100110/s1
InChIKeyAYCFUBIMYZWPIK-VOJAELFSSA-N
MW2565.29 g/mol
LogP28.92
Rot. Bonds51

About N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone

N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone (PubChem CID 157266919) has the molecular formula C161H174N20O11 and a molecular weight of 2565.29 g/mol. Its IUPAC name is N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone.

Molecular Properties

Compound NameN-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone
PubChem CID157266919
Molecular FormulaC161H174N20O11
Molecular Weight2565.29 g/mol
Exact Mass2563.37
IUPAC NameN-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone
SMILESCCNC(=O)c1ccc2c(C(=O)[C@@H](C)NCCc3ccc(C)cc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@H](C)NCCc3ccc(C)cc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)c[nH]c2c1.Cc1ccc(CCN[C@@H](C(=O)c2n[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1
InChIInChI=1S/3C29H31N3O2.C28H27N5O.2C23H27N3O2/c3*1-4-30-29(34)23-14-15-24-25(18-31-26(24)16-23)28(33)27(22-8-6-5-7-9-22)32-17-20(3)21-12-10-19(2)11-13-21;1-19-8-10-20(11-9-19)14-15-29-26(21-6-4-3-5-7-21)28(34)27-24-13-12-22(16-25(24)31-32-27)23-17-30-33(2)18-23;2*1-4-24-23(28)18-9-10-19-20(14-26-21(19)13-18)22(27)16(3)25-12-11-17-7-5-15(2)6-8-17/h3*5-16,18,20,27,31-32H,4,17H2,1-3H3,(H,30,34);3-13,16-18,26,29H,14-15H2,1-2H3,(H,31,32);2*5-10,13-14,16,25-26H,4,11-12H2,1-3H3,(H,24,28)/t2*20-,27+;20-,27-;26-;2*16-/m100110/s1
InChIKeyAYCFUBIMYZWPIK-VOJAELFSSA-N
XLogP28.92
TPSA445.55 Ų
H-Bond Donors17
H-Bond Acceptors20
Rotatable Bonds51
Heavy Atoms192
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002565.29
LogP ≤ 528.92
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1020

Analyze N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone?
The IUPAC name of N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone (CID 157266919) is N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone.
What is the SMILES notation for N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone?
The canonical SMILES for N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone is CCNC(=O)c1ccc2c(C(=O)[C@@H](C)NCCc3ccc(C)cc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@H](C)NCCc3ccc(C)cc3)c[nH]c2c1.CCNC(=O)c1ccc2c(C(=O)[C@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)c[nH]c2c1.Cc1ccc(CCN[C@@H](C(=O)c2n[nH]c3cc(-c4cnn(C)c4)ccc23)c2ccccc2)cc1.
What is the InChIKey of N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone?
The InChIKey is AYCFUBIMYZWPIK-VOJAELFSSA-N. The full InChI is InChI=1S/3C29H31N3O2.C28H27N5O.2C23H27N3O2/c3*1-4-30-29(34)23-14-15-24-25(18-31-26(24)16-23)28(33)27(22-8-6-5-7-9-22)32-17-20(3)21-12-10-19(2)11-13-21;1-19-8-10-20(11-9-19)14-15-29-26(21-6-4-3-5-7-21)28(34)27-24-13-12-22(16-25(24)31-32-27)23-17-30-33(2)18-23;2*1-4-24-23(28)18-9-10-19-20(14-26-21(19)13-18)22(27)16(3)25-12-11-17-7-5-15(2)6-8-17/h3*5-16,18,20,27,31-32H,4,17H2,1-3H3,(H,30,34);3-13,16-18,26,29H,14-15H2,1-2H3,(H,31,32);2*5-10,13-14,16,25-26H,4,11-12H2,1-3H3,(H,24,28)/t2*20-,27+;20-,27-;26-;2*16-/m100110/s1.
What are the key properties of N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone?
N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone has a molecular weight of 2565.29 g/mol, XLogP of 28.92, 51 rotatable bonds, 17 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]propanoyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2R)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-ethyl-3-[(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetyl]-1H-indole-6-carboxamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-1-[6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-2-phenylethanone is sourced from PubChem (CID 157266919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).