ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide

C27H36N2O2 — CID 142086448

IUPACethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide
SMILESCC.CCc1c[nH]c2ccc(Oc3c(C)cc(NC(=O)C4CCCCC4)cc3C)cc12
InChIInChI=1S/C25H30N2O2.C2H6/c1-4-18-15-26-23-11-10-21(14-22(18)23)29-24-16(2)12-20(13-17(24)3)27-25(28)19-8-6-5-7-9-19;1-2/h10-15,19,26H,4-9H2,1-3H3,(H,27,28);1-2H3
InChIKeyGZUWXOZGZDCUGU-UHFFFAOYSA-N
MW420.60 g/mol
LogP7.68
Rot. Bonds5

About ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide

ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide (PubChem CID 142086448) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound Nameethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide
PubChem CID142086448
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Nameethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide
SMILESCC.CCc1c[nH]c2ccc(Oc3c(C)cc(NC(=O)C4CCCCC4)cc3C)cc12
InChIInChI=1S/C25H30N2O2.C2H6/c1-4-18-15-26-23-11-10-21(14-22(18)23)29-24-16(2)12-20(13-17(24)3)27-25(28)19-8-6-5-7-9-19;1-2/h10-15,19,26H,4-9H2,1-3H3,(H,27,28);1-2H3
InChIKeyGZUWXOZGZDCUGU-UHFFFAOYSA-N
XLogP7.68
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,5-dimethyl-4-[(3-propan-2-yl-1H-indol-5-yl)oxy]phenyl]-2-phenylacetamide
CID 142086189
N-[4-[2-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 71926324
N-[3-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1H-indol-5-yl]cyclobutanecarboxamide
CID 46081793
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
3-cyclohexyl-5-(2,6-dimethylphenoxy)-1H-indole
CID 173233148
ethyl 2-[4-[3-(cyclohexylsulfamoyl)-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 54037129
N-[(4-cyclohexyloxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60614816
N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide
CID 59715098
cyclohexyl-(5-propoxy-1H-indol-3-yl)methanone
CID 80649092
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
N-[(5-ethyl-1H-indol-3-yl)methoxy]cyclopropanecarboxamide
CID 19967260
2-[4-[(3-cyclopropyl-1H-indol-5-yl)oxy]-3,5-dimethylphenoxy]acetic acid
CID 22669507

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide?
The IUPAC name of ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide (CID 142086448) is ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide?
The canonical SMILES for ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide is CC.CCc1c[nH]c2ccc(Oc3c(C)cc(NC(=O)C4CCCCC4)cc3C)cc12.
What is the InChIKey of ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide?
The InChIKey is GZUWXOZGZDCUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2.C2H6/c1-4-18-15-26-23-11-10-21(14-22(18)23)29-24-16(2)12-20(13-17(24)3)27-25(28)19-8-6-5-7-9-19;1-2/h10-15,19,26H,4-9H2,1-3H3,(H,27,28);1-2H3.
What are the key properties of ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide?
ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide has a molecular weight of 420.60 g/mol, XLogP of 7.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[(3-ethyl-1H-indol-5-yl)oxy]-3,5-dimethylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 142086448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).