[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate

C20H27NO2 — CID 101189458

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate
SMILESCC(C)C1CC[C@@H](C)C[C@H]1OC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C20H27NO2/c1-14(2)17-9-8-15(3)12-19(17)23-20(22)13-21-11-10-16-6-4-5-7-18(16)21/h4-7,10-11,14-15,17,19H,8-9,12-13H2,1-3H3/t15-,17?,19-/m1/s1
InChIKeySYNDCDVVEBNNLM-WUKPUPCQSA-N
MW313.44 g/mol
LogP4.65
Rot. Bonds4

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate (PubChem CID 101189458) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate
PubChem CID101189458
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate
SMILESCC(C)C1CC[C@@H](C)C[C@H]1OC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C20H27NO2/c1-14(2)17-9-8-15(3)12-19(17)23-20(22)13-21-11-10-16-6-4-5-7-18(16)21/h4-7,10-11,14-15,17,19H,8-9,12-13H2,1-3H3/t15-,17?,19-/m1/s1
InChIKeySYNDCDVVEBNNLM-WUKPUPCQSA-N
XLogP4.65
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(2-ethylbenzimidazol-1-yl)acetate
CID 129230372
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[3-[2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]-2-oxoethyl]benzimidazol-3-ium-1-yl]acetate
CID 51722847
[2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2-oxoethyl]-triphenylphosphanium
CID 98143975
[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]-triphenylphosphanium bromide
CID 18558600
[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] 3-hydroxy-3-phenylbutanoate
CID 149190489
[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3R)-3-phenylbutanoate
CID 7053819
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetate
CID 129230731
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetate
CID 129230634
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] naphthalene-2,3-dicarboxylate
CID 10390964
(5-methyl-2-propan-2-ylcyclohexyl) 2-(1,8-dibromo-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
CID 3119381
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[3-methyl-2-[(E)-prop-1-enyl]benzimidazol-3-ium-1-yl]acetate
CID 129230805
(5-methyl-2-propan-2-ylcyclohexyl) 2-(2-aminophenyl)acetate
CID 61308508

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate (CID 101189458) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate is CC(C)C1CC[C@@H](C)C[C@H]1OC(=O)Cn1ccc2ccccc21.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate?
The InChIKey is SYNDCDVVEBNNLM-WUKPUPCQSA-N. The full InChI is InChI=1S/C20H27NO2/c1-14(2)17-9-8-15(3)12-19(17)23-20(22)13-21-11-10-16-6-4-5-7-18(16)21/h4-7,10-11,14-15,17,19H,8-9,12-13H2,1-3H3/t15-,17?,19-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate has a molecular weight of 313.44 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-indol-1-ylacetate is sourced from PubChem (CID 101189458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).