2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide

C34H43N3O2 — CID 71100783

IUPAC2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide
SMILESCC1CC2CCCC(C(=O)CNc3ccc(-c4cc5ccc(NC(=O)C6CCCCC6C)cc5[nH]4)cc3)(C1)C2
InChIInChI=1S/C34H43N3O2/c1-22-16-24-7-5-15-34(19-22,20-24)32(38)21-35-27-12-9-25(10-13-27)30-17-26-11-14-28(18-31(26)37-30)36-33(39)29-8-4-3-6-23(29)2/h9-14,17-18,22-24,29,35,37H,3-8,15-16,19-21H2,1-2H3,(H,36,39)
InChIKeyJQSPXUSUHWOKQE-UHFFFAOYSA-N
MW525.74 g/mol
LogP8.19
Rot. Bonds7

About 2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide

2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide (PubChem CID 71100783) has the molecular formula C34H43N3O2 and a molecular weight of 525.74 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide
PubChem CID71100783
Molecular FormulaC34H43N3O2
Molecular Weight525.74 g/mol
Exact Mass525.34
IUPAC Name2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide
SMILESCC1CC2CCCC(C(=O)CNc3ccc(-c4cc5ccc(NC(=O)C6CCCCC6C)cc5[nH]4)cc3)(C1)C2
InChIInChI=1S/C34H43N3O2/c1-22-16-24-7-5-15-34(19-22,20-24)32(38)21-35-27-12-9-25(10-13-27)30-17-26-11-14-28(18-31(26)37-30)36-33(39)29-8-4-3-6-23(29)2/h9-14,17-18,22-24,29,35,37H,3-8,15-16,19-21H2,1-2H3,(H,36,39)
InChIKeyJQSPXUSUHWOKQE-UHFFFAOYSA-N
XLogP8.19
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.74
LogP ≤ 58.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

2-methyl-N-[2-[4-[[2-oxo-2-(4-oxo-1-adamantyl)ethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide
CID 59715192
N-[2-[4-[[2-(1-adamantyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexanecarboxamide
CID 59715129
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-6-yl]-2-methylcyclohexane-1-carboxamide
CID 71094972
N-[4-[5-(cyclohexanecarbonylamino)-1H-indol-2-yl]phenyl]-2-methylcyclohexane-1-carboxamide
CID 10344111
N-[2-[4-[[2-(2-methylcyclohexyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]pyridine-2-carboxamide
CID 59715215
N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10049533
N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-3-carboxamide
CID 59715091
N-[4-[5-(cycloheptanecarbonylamino)-1H-indol-2-yl]phenyl]adamantane-1-carboxamide
CID 10413966
4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]-N-(4-methylcyclohexyl)benzamide
CID 10183841
N-(4-methoxyphenyl)-2-methylcyclohexane-1-carboxamide
CID 4262812
cis-(1R,2S)-N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-methylcyclopropane-1-carboxamide
CID 39693129
N-[2-[4-(hexanoylamino)phenyl]-3H-benzimidazol-5-yl]-2-methylcyclopentane-1-carboxamide
CID 142813027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide?
The IUPAC name of 2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide (CID 71100783) is 2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide is CC1CC2CCCC(C(=O)CNc3ccc(-c4cc5ccc(NC(=O)C6CCCCC6C)cc5[nH]4)cc3)(C1)C2.
What is the InChIKey of 2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide?
The InChIKey is JQSPXUSUHWOKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O2/c1-22-16-24-7-5-15-34(19-22,20-24)32(38)21-35-27-12-9-25(10-13-27)30-17-26-11-14-28(18-31(26)37-30)36-33(39)29-8-4-3-6-23(29)2/h9-14,17-18,22-24,29,35,37H,3-8,15-16,19-21H2,1-2H3,(H,36,39).
What are the key properties of 2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide?
2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide has a molecular weight of 525.74 g/mol, XLogP of 8.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-[[2-(3-methyl-1-bicyclo[3.3.1]nonanyl)-2-oxoethyl]amino]phenyl]-1H-indol-6-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 71100783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).