1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate

C17H20NO3- — CID 6954360

IUPAC1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate
SMILESCOc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CCCCC1
InChIInChI=1S/C17H21NO3/c1-11-16(17(19)20)14-10-13(21-2)8-9-15(14)18(11)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,20)/p-1
InChIKeyBPMZOSFCQREIRL-UHFFFAOYSA-M
MW286.35 g/mol
LogP2.83
Rot. Bonds3

About 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate

1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate (PubChem CID 6954360) has the molecular formula C17H20NO3- and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate.

Molecular Properties

Compound Name1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate
PubChem CID6954360
Molecular FormulaC17H20NO3-
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate
SMILESCOc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CCCCC1
InChIInChI=1S/C17H21NO3/c1-11-16(17(19)20)14-10-13(21-2)8-9-15(14)18(11)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,20)/p-1
InChIKeyBPMZOSFCQREIRL-UHFFFAOYSA-M
XLogP2.83
TPSA54.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
CID 110878033
1-cyclohexyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-5-methoxy-2-methylindole-3-carboxamide
CID 112771381
1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide
CID 112795503
3-oxobutan-2-yl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
CID 18281159
1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
CID 112820627
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide
CID 112842247
1-cyclopentyl-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
CID 131962261
1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide
CID 112772126
1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide
CID 4842459
1-cyclohexyl-5-methoxy-2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)indole-3-carboxamide
CID 112815425
1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide
CID 112827378
1-cyclohexyl-5-methoxy-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-3-carboxamide
CID 112819708

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate?
The IUPAC name of 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate (CID 6954360) is 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate.
What is the SMILES notation for 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate?
The canonical SMILES for 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate is COc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate?
The InChIKey is BPMZOSFCQREIRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H21NO3/c1-11-16(17(19)20)14-10-13(21-2)8-9-15(14)18(11)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,20)/p-1.
What are the key properties of 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate?
1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate has a molecular weight of 286.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate is sourced from PubChem (CID 6954360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).