N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide

C53H69N7O2 — CID 91220131

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide
SMILESCN(C)c1ccc(-c2ccc3ccn(CC(=O)NCCN(C)C4CCCCC4)c3c2)cc1.Cc1ccc(-c2ccc3ccn(CC(=O)NCCN4CC(C)CC(C)C4)c3c2)cc1
InChIInChI=1S/C27H36N4O.C26H33N3O/c1-29(2)24-13-11-21(12-14-24)23-10-9-22-15-17-31(26(22)19-23)20-27(32)28-16-18-30(3)25-7-5-4-6-8-25;1-19-4-6-22(7-5-19)24-9-8-23-10-12-29(25(23)15-24)18-26(30)27-11-13-28-16-20(2)14-21(3)17-28/h9-15,17,19,25H,4-8,16,18,20H2,1-3H3,(H,28,32);4-10,12,15,20-21H,11,13-14,16-18H2,1-3H3,(H,27,30)
InChIKeyHPMLYIFFQSURPJ-UHFFFAOYSA-N
MW836.18 g/mol
LogP9.47
Rot. Bonds14

About N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide (PubChem CID 91220131) has the molecular formula C53H69N7O2 and a molecular weight of 836.18 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide
PubChem CID91220131
Molecular FormulaC53H69N7O2
Molecular Weight836.18 g/mol
Exact Mass835.55
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide
SMILESCN(C)c1ccc(-c2ccc3ccn(CC(=O)NCCN(C)C4CCCCC4)c3c2)cc1.Cc1ccc(-c2ccc3ccn(CC(=O)NCCN4CC(C)CC(C)C4)c3c2)cc1
InChIInChI=1S/C27H36N4O.C26H33N3O/c1-29(2)24-13-11-21(12-14-24)23-10-9-22-15-17-31(26(22)19-23)20-27(32)28-16-18-30(3)25-7-5-4-6-8-25;1-19-4-6-22(7-5-19)24-9-8-23-10-12-29(25(23)15-24)18-26(30)27-11-13-28-16-20(2)14-21(3)17-28/h9-15,17,19,25H,4-8,16,18,20H2,1-3H3,(H,28,32);4-10,12,15,20-21H,11,13-14,16-18H2,1-3H3,(H,27,30)
InChIKeyHPMLYIFFQSURPJ-UHFFFAOYSA-N
XLogP9.47
TPSA77.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.18
LogP ≤ 59.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide (CID 91220131) is N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide is CN(C)c1ccc(-c2ccc3ccn(CC(=O)NCCN(C)C4CCCCC4)c3c2)cc1.Cc1ccc(-c2ccc3ccn(CC(=O)NCCN4CC(C)CC(C)C4)c3c2)cc1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide?
The InChIKey is HPMLYIFFQSURPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O.C26H33N3O/c1-29(2)24-13-11-21(12-14-24)23-10-9-22-15-17-31(26(22)19-23)20-27(32)28-16-18-30(3)25-7-5-4-6-8-25;1-19-4-6-22(7-5-19)24-9-8-23-10-12-29(25(23)15-24)18-26(30)27-11-13-28-16-20(2)14-21(3)17-28/h9-15,17,19,25H,4-8,16,18,20H2,1-3H3,(H,28,32);4-10,12,15,20-21H,11,13-14,16-18H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide has a molecular weight of 836.18 g/mol, XLogP of 9.47, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(dimethylamino)phenyl]indol-1-yl]acetamide;N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide is sourced from PubChem (CID 91220131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).