[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone

C24H38N2O2 — CID 171722445

IUPAC[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
SMILESO=C(C1CCC(C(=O)N2CCC3CCCCC32)CC1)N1CCC2CCCCC21
InChIInChI=1S/C24H38N2O2/c27-23(25-15-13-17-5-1-3-7-21(17)25)19-9-11-20(12-10-19)24(28)26-16-14-18-6-2-4-8-22(18)26/h17-22H,1-16H2
InChIKeyTVKGMRLKUGWIMO-UHFFFAOYSA-N
MW386.58 g/mol
LogP4.38
Rot. Bonds2

About [4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone

[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone (PubChem CID 171722445) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is [4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
PubChem CID171722445
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
SMILESO=C(C1CCC(C(=O)N2CCC3CCCCC32)CC1)N1CCC2CCCCC21
InChIInChI=1S/C24H38N2O2/c27-23(25-15-13-17-5-1-3-7-21(17)25)19-9-11-20(12-10-19)24(28)26-16-14-18-6-2-4-8-22(18)26/h17-22H,1-16H2
InChIKeyTVKGMRLKUGWIMO-UHFFFAOYSA-N
XLogP4.38
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone with MolForge

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Related Compounds

cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 60611198
cyclopropyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871757
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminocyclopentyl)methanone
CID 81488864
cyclobutyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871814
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)cyclohexyl]-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60596758
[(1S,3R)-3-aminocyclopentyl]-[(2R)-2-cyclopentylpyrrolidin-1-yl]methanone
CID 124678579
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-aminocyclopentyl)methanone
CID 102726153
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl chloride
CID 93494912
(2-cyclopentylpyrrolidin-1-yl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 136578094
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(1-butylsulfonylpiperidin-4-yl)methanone
CID 60611038
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 126819210

Frequently Asked Questions

What is the IUPAC name of [4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
The IUPAC name of [4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone (CID 171722445) is [4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone.
What is the SMILES notation for [4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
The canonical SMILES for [4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone is O=C(C1CCC(C(=O)N2CCC3CCCCC32)CC1)N1CCC2CCCCC21.
What is the InChIKey of [4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
The InChIKey is TVKGMRLKUGWIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O2/c27-23(25-15-13-17-5-1-3-7-21(17)25)19-9-11-20(12-10-19)24(28)26-16-14-18-6-2-4-8-22(18)26/h17-22H,1-16H2.
What are the key properties of [4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone has a molecular weight of 386.58 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone is sourced from PubChem (CID 171722445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).