methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate

C23H27NO5 — CID 70839027

IUPACmethyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate
SMILESCOC(=O)Cn1c(C2C=COC2)c(C2CCCCC2)c2ccc(C(=O)OC)cc21
InChIInChI=1S/C23H27NO5/c1-27-20(25)13-24-19-12-16(23(26)28-2)8-9-18(19)21(15-6-4-3-5-7-15)22(24)17-10-11-29-14-17/h8-12,15,17H,3-7,13-14H2,1-2H3
InChIKeyXDFZMEJOTCMOTA-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.28
Rot. Bonds5

About methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate

methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate (PubChem CID 70839027) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate
PubChem CID70839027
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Namemethyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate
SMILESCOC(=O)Cn1c(C2C=COC2)c(C2CCCCC2)c2ccc(C(=O)OC)cc21
InChIInChI=1S/C23H27NO5/c1-27-20(25)13-24-19-12-16(23(26)28-2)8-9-18(19)21(15-6-4-3-5-7-15)22(24)17-10-11-29-14-17/h8-12,15,17H,3-7,13-14H2,1-2H3
InChIKeyXDFZMEJOTCMOTA-UHFFFAOYSA-N
XLogP4.28
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate with MolForge

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Related Compounds

[3-cyclohexyl-6-methoxycarbonyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indol-2-yl]boronic acid
CID 59664971
methyl 2-[2-(aminomethyl)-4-fluorophenyl]-3-cyclohexyl-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate
CID 68506958
methyl 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate
CID 11248662
methyl 1-(2-aminoethyl)-2-bromo-3-cyclohexylindole-6-carboxylate
CID 23152393
methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate
CID 58866261
methyl 2-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-cyclohexylindole-6-carboxylate
CID 68921984
methyl 2-bromo-1-(2-cyanoethyl)-3-cyclohexylindole-6-carboxylate
CID 58765170
methyl 2-(2-bromoacetyl)-3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylate
CID 21105283
methyl 2-bromo-3-cyclohexyl-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]indole-6-carboxylate
CID 23152709
methyl 3-cyclohexyl-2-methyl-1-tributylstannylindole-6-carboxylate
CID 66969307
ethane;methyl 3-cyclohexyl-1-methyl-2-(1,3-oxazol-5-yl)indole-6-carboxylate
CID 142207585
2-bromoprop-1-ene;methyl 3-cyclopentyl-1,2-dimethylindole-6-carboxylate
CID 123693531

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate?
The IUPAC name of methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate (CID 70839027) is methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate.
What is the SMILES notation for methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate?
The canonical SMILES for methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate is COC(=O)Cn1c(C2C=COC2)c(C2CCCCC2)c2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate?
The InChIKey is XDFZMEJOTCMOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-27-20(25)13-24-19-12-16(23(26)28-2)8-9-18(19)21(15-6-4-3-5-7-15)22(24)17-10-11-29-14-17/h8-12,15,17H,3-7,13-14H2,1-2H3.
What are the key properties of methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate?
methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-2-(2,3-dihydrofuran-3-yl)-1-(2-methoxy-2-oxoethyl)indole-6-carboxylate is sourced from PubChem (CID 70839027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).