1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone

C18H31NO2 — CID 124729687

IUPAC1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone
SMILESC[C@@H]1CCCC[C@@H]1OCC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21
InChIInChI=1S/C18H31NO2/c1-13-7-3-6-10-17(13)21-12-18(20)19-14(2)11-15-8-4-5-9-16(15)19/h13-17H,3-12H2,1-2H3/t13-,14-,15-,16-,17+/m1/s1
InChIKeyGOQOGUJRLNXIPV-HHARLNAUSA-N
MW293.45 g/mol
LogP3.76
Rot. Bonds3

About 1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone

1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone (PubChem CID 124729687) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone.

Molecular Properties

Compound Name1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone
PubChem CID124729687
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone
SMILESC[C@@H]1CCCC[C@@H]1OCC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21
InChIInChI=1S/C18H31NO2/c1-13-7-3-6-10-17(13)21-12-18(20)19-14(2)11-15-8-4-5-9-16(15)19/h13-17H,3-12H2,1-2H3/t13-,14-,15-,16-,17+/m1/s1
InChIKeyGOQOGUJRLNXIPV-HHARLNAUSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone 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

1-[(2R,3aR,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-(2-methoxyethoxy)ethanone
CID 97091786
1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-cyclopentylethanone
CID 124835824
2-(2-methoxyethylamino)-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethanone;hydrochloride
CID 119784924
1-[(2R,3aS,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-methylpropan-1-one
CID 58649190
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone
CID 111560893
methyl (2S,3aS,7aR)-1-(2-cyclohexyloxyacetyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 124830272
1-(2-methylcyclohexyl)oxybutan-2-one
CID 62040617
(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid
CID 119372189
1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119784917
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylcyclohexyl)oxyethanone
CID 120816436
(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid
CID 99639050
methyl (3S)-4-[(2R,3aR,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-methyl-4-oxobutanoate
CID 97023124

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone?
The IUPAC name of 1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone (CID 124729687) is 1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone.
What is the SMILES notation for 1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone?
The canonical SMILES for 1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone is C[C@@H]1CCCC[C@@H]1OCC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21.
What is the InChIKey of 1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone?
The InChIKey is GOQOGUJRLNXIPV-HHARLNAUSA-N. The full InChI is InChI=1S/C18H31NO2/c1-13-7-3-6-10-17(13)21-12-18(20)19-14(2)11-15-8-4-5-9-16(15)19/h13-17H,3-12H2,1-2H3/t13-,14-,15-,16-,17+/m1/s1.
What are the key properties of 1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone?
1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone has a molecular weight of 293.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3aR,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-[(1S,2R)-2-methylcyclohexyl]oxyethanone is sourced from PubChem (CID 124729687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).