methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate

C22H25NO3 — CID 58866261

IUPACmethyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate
SMILESCCn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)OC)cc21
InChIInChI=1S/C22H25NO3/c1-3-23-19-13-16(22(24)25-2)9-10-18(19)20(15-7-5-4-6-8-15)21(23)17-11-12-26-14-17/h9-15H,3-8H2,1-2H3
InChIKeyIBUXVIRFYBTFKF-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.76
Rot. Bonds4

About methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate

methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate (PubChem CID 58866261) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate
PubChem CID58866261
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Namemethyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate
SMILESCCn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)OC)cc21
InChIInChI=1S/C22H25NO3/c1-3-23-19-13-16(22(24)25-2)9-10-18(19)20(15-7-5-4-6-8-15)21(23)17-11-12-26-14-17/h9-15H,3-8H2,1-2H3
InChIKeyIBUXVIRFYBTFKF-UHFFFAOYSA-N
XLogP5.76
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-2-(furan-3-yl)-1-(2-hydroxyethyl)indole-6-carboxylic acid
CID 46232833
1-(2-amino-2-oxoethyl)-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid
CID 46232957
1-benzyl-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid
CID 46232750
3-cyclohexyl-2-(furan-3-yl)-1-[2-[methyl(propyl)amino]-2-oxoethyl]indole-6-carboxylic acid
CID 46233036
3-cyclohexyl-2-(furan-3-yl)-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
CID 10075164
3-cyclohexyl-2-(furan-3-yl)-1-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]indole-6-carboxylic acid
CID 46232504
methyl 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indole-6-carboxylate
CID 11248662
1-[2-[4-[aminosulfanyl(methyl)amino]butylamino]-2-oxoethyl]-3-cyclohexyl-2-(furan-3-yl)indole-6-carboxylic acid
CID 143824862
N-tert-butylsulfonyl-3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide
CID 71816842
methyl 1-(2-aminoethyl)-2-bromo-3-cyclohexylindole-6-carboxylate
CID 23152393
3-cyclohexyl-2-(furan-3-yl)-1-methyl-N-(2H-tetrazol-5-ylmethyl)indole-6-carboxamide
CID 11246698
3-cyclohexyl-2-(furan-3-yl)-N-methylsulfonyl-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxamide;3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carbonyl chloride;3-cyclohexyl-2-(furan-3-yl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid
CID 158147564

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate?
The IUPAC name of methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate (CID 58866261) is methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate.
What is the SMILES notation for methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate?
The canonical SMILES for methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate is CCn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)OC)cc21.
What is the InChIKey of methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate?
The InChIKey is IBUXVIRFYBTFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-3-23-19-13-16(22(24)25-2)9-10-18(19)20(15-7-5-4-6-8-15)21(23)17-11-12-26-14-17/h9-15H,3-8H2,1-2H3.
What are the key properties of methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate?
methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-1-ethyl-2-(furan-3-yl)indole-6-carboxylate is sourced from PubChem (CID 58866261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).