2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide

C106H131N13O6 — CID 159560251

IUPAC2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
SMILESCCN(CCNC(=O)Cn1ccc2ccc(-c3ccc(C)cc3)cc21)C1CCCCC1.CN(CCNC(=O)Cn1ccc2ccc(-c3ccc(C#N)cc3)cc21)C1CCCCC1.COC(=O)c1cc2ccc(-c3ccc(C)cc3)cc2n1CC(=O)NCCN(C)C1CCCCC1.Cc1ccc(-c2ccc3ccn(CC(=O)NCCN4CCC(C)CC4)c3c2)cc1
InChIInChI=1S/C28H35N3O3.C27H35N3O.C26H30N4O.C25H31N3O/c1-20-9-11-21(12-10-20)22-13-14-23-18-26(28(33)34-3)31(25(23)17-22)19-27(32)29-15-16-30(2)24-7-5-4-6-8-24;1-3-29(25-7-5-4-6-8-25)18-16-28-27(31)20-30-17-15-23-13-14-24(19-26(23)30)22-11-9-21(2)10-12-22;1-29(24-5-3-2-4-6-24)16-14-28-26(31)19-30-15-13-22-11-12-23(17-25(22)30)21-9-7-20(18-27)8-10-21;1-19-3-5-21(6-4-19)23-8-7-22-11-15-28(24(22)17-23)18-25(29)26-12-16-27-13-9-20(2)10-14-27/h9-14,17-18,24H,4-8,15-16,19H2,1-3H3,(H,29,32);9-15,17,19,25H,3-8,16,18,20H2,1-2H3,(H,28,31);7-13,15,17,24H,2-6,14,16,19H2,1H3,(H,28,31);3-8,11,15,17,20H,9-10,12-14,16,18H2,1-2H3,(H,26,29)
InChIKeyMGNACBKDSBJFEQ-UHFFFAOYSA-N
MW1683.30 g/mol
LogP19.20
Rot. Bonds29

About 2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide

2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide (PubChem CID 159560251) has the molecular formula C106H131N13O6 and a molecular weight of 1683.30 g/mol. Its IUPAC name is 2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
PubChem CID159560251
Molecular FormulaC106H131N13O6
Molecular Weight1683.30 g/mol
Exact Mass1682.03
IUPAC Name2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
SMILESCCN(CCNC(=O)Cn1ccc2ccc(-c3ccc(C)cc3)cc21)C1CCCCC1.CN(CCNC(=O)Cn1ccc2ccc(-c3ccc(C#N)cc3)cc21)C1CCCCC1.COC(=O)c1cc2ccc(-c3ccc(C)cc3)cc2n1CC(=O)NCCN(C)C1CCCCC1.Cc1ccc(-c2ccc3ccn(CC(=O)NCCN4CCC(C)CC4)c3c2)cc1
InChIInChI=1S/C28H35N3O3.C27H35N3O.C26H30N4O.C25H31N3O/c1-20-9-11-21(12-10-20)22-13-14-23-18-26(28(33)34-3)31(25(23)17-22)19-27(32)29-15-16-30(2)24-7-5-4-6-8-24;1-3-29(25-7-5-4-6-8-25)18-16-28-27(31)20-30-17-15-23-13-14-24(19-26(23)30)22-11-9-21(2)10-12-22;1-29(24-5-3-2-4-6-24)16-14-28-26(31)19-30-15-13-22-11-12-23(17-25(22)30)21-9-7-20(18-27)8-10-21;1-19-3-5-21(6-4-19)23-8-7-22-11-15-28(24(22)17-23)18-25(29)26-12-16-27-13-9-20(2)10-14-27/h9-14,17-18,24H,4-8,15-16,19H2,1-3H3,(H,29,32);9-15,17,19,25H,3-8,16,18,20H2,1-2H3,(H,28,31);7-13,15,17,24H,2-6,14,16,19H2,1H3,(H,28,31);3-8,11,15,17,20H,9-10,12-14,16,18H2,1-2H3,(H,26,29)
InChIKeyMGNACBKDSBJFEQ-UHFFFAOYSA-N
XLogP19.20
TPSA199.17 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001683.30
LogP ≤ 519.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide with MolForge

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Related Compounds

5-[[(3S)-3-[[3-cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carbonyl]amino]piperidine-3-carbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 54582740
5-[[2-[[3-Cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carbonyl]amino]-2-methyl-propanoyl]amino]-1-methyl-indole-2-carboxylic acid
CID 54586606
5-[[2-[[3-Cyclopentyl-1-methyl-2-(5-methyl-2-pyridinyl)indole-6-carbonyl]amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71452104
5-[[2-[(3-Cyclopentyl-1-methyl-2-pyridin-2-ylindole-6-carbonyl)amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71459312
5-[[2-[[3-Cyclopentyl-1-methyl-2-(6-methyl-3-pyridinyl)indole-6-carbonyl]amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71462801
5-[[2-[(3-Cyclopentyl-1-methyl-2-pyridin-4-ylindole-6-carbonyl)amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71462802
benzyl 1-[2-[[(2S)-3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]amino]ethyl]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 49865751
Methyl 1-(1-acetylindol-3-yl)-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 145990423
4-[[3-[2-Carboxy-2-[3-[3-[3-[[1-carboxy-2-[1-[(4-carboxyphenyl)methyl]indol-3-yl]ethyl]amino]-3-oxopropoxy]-2,2-bis[[3-[[1-carboxy-2-[1-[(4-carboxyphenyl)methyl]indol-3-yl]ethyl]amino]-3-oxopropoxy]methyl]propoxy]propanoylamino]ethyl]indol-1-yl]methyl]benzoic acid
CID 155551310
methyl (2S)-3-(1H-indol-3-yl)-2-[[1-[2-[1-[[4-[[3-[2-[(2S)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 129905483
ethyl 5-[[(2S,3S)-1-[4-(1-amino-2-fluoroethyl)cyclohexanecarbonyl]-3-cyclohexylpyrrolidine-2-carbonyl]amino]-1-methylindole-2-carboxylate
CID 118100999
ethyl 5-[[(2S,3S)-1-[4-(1-amino-2-fluoroethyl)cyclohexanecarbonyl]-3-phenylpyrrolidine-2-carbonyl]amino]-1-methylindole-2-carboxylate
CID 118101000

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide (CID 159560251) is 2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide is CCN(CCNC(=O)Cn1ccc2ccc(-c3ccc(C)cc3)cc21)C1CCCCC1.CN(CCNC(=O)Cn1ccc2ccc(-c3ccc(C#N)cc3)cc21)C1CCCCC1.COC(=O)c1cc2ccc(-c3ccc(C)cc3)cc2n1CC(=O)NCCN(C)C1CCCCC1.Cc1ccc(-c2ccc3ccn(CC(=O)NCCN4CCC(C)CC4)c3c2)cc1.
What is the InChIKey of 2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is MGNACBKDSBJFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3.C27H35N3O.C26H30N4O.C25H31N3O/c1-20-9-11-21(12-10-20)22-13-14-23-18-26(28(33)34-3)31(25(23)17-22)19-27(32)29-15-16-30(2)24-7-5-4-6-8-24;1-3-29(25-7-5-4-6-8-25)18-16-28-27(31)20-30-17-15-23-13-14-24(19-26(23)30)22-11-9-21(2)10-12-22;1-29(24-5-3-2-4-6-24)16-14-28-26(31)19-30-15-13-22-11-12-23(17-25(22)30)21-9-7-20(18-27)8-10-21;1-19-3-5-21(6-4-19)23-8-7-22-11-15-28(24(22)17-23)18-25(29)26-12-16-27-13-9-20(2)10-14-27/h9-14,17-18,24H,4-8,15-16,19H2,1-3H3,(H,29,32);9-15,17,19,25H,3-8,16,18,20H2,1-2H3,(H,28,31);7-13,15,17,24H,2-6,14,16,19H2,1H3,(H,28,31);3-8,11,15,17,20H,9-10,12-14,16,18H2,1-2H3,(H,26,29).
What are the key properties of 2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide?
2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 1683.30 g/mol, XLogP of 19.20, 29 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-cyanophenyl)indol-1-yl]-N-[2-[cyclohexyl(methyl)amino]ethyl]acetamide;N-[2-[cyclohexyl(ethyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;methyl 1-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]-6-(4-methylphenyl)indole-2-carboxylate;2-[6-(4-methylphenyl)indol-1-yl]-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 159560251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).