(1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one

C21H36N2O2 — CID 110201219

IUPAC(1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
SMILESO=C1NCCCCCCN(C(=O)CC2CCCCC2)[C@H]2CCCC[C@@H]12
InChIInChI=1S/C21H36N2O2/c24-20(16-17-10-4-3-5-11-17)23-15-9-2-1-8-14-22-21(25)18-12-6-7-13-19(18)23/h17-19H,1-16H2,(H,22,25)/t18-,19+/m1/s1
InChIKeyOMAVOFGHZGMZDB-MOPGFXCFSA-N
MW348.53 g/mol
LogP4.03
Rot. Bonds2

About (1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one

(1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one (PubChem CID 110201219) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is (1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
PubChem CID110201219
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Name(1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
SMILESO=C1NCCCCCCN(C(=O)CC2CCCCC2)[C@H]2CCCC[C@@H]12
InChIInChI=1S/C21H36N2O2/c24-20(16-17-10-4-3-5-11-17)23-15-9-2-1-8-14-22-21(25)18-12-6-7-13-19(18)23/h17-19H,1-16H2,(H,22,25)/t18-,19+/m1/s1
InChIKeyOMAVOFGHZGMZDB-MOPGFXCFSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one with MolForge

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Related Compounds

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CID 880907
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-cyclohexylpropanamide
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(S)-N-(1-(3-(4-(3-aminopropylamino)butylamino)propylamino)-3-cyclohexyl-1-oxopropan-2-yl)cyclohexanecarboxamide
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2-cyclohexyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 651966
N-cyclohexylcyclohexanecarboxamide
CID 344739
(1R,11S)-2-(2-cyclopentylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
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(1S,11R)-2-(cyclopentanecarbonyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201211
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CID 110201226
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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The IUPAC name of (1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one (CID 110201219) is (1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one.
What is the SMILES notation for (1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The canonical SMILES for (1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one is O=C1NCCCCCCN(C(=O)CC2CCCCC2)[C@H]2CCCC[C@@H]12.
What is the InChIKey of (1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
The InChIKey is OMAVOFGHZGMZDB-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H36N2O2/c24-20(16-17-10-4-3-5-11-17)23-15-9-2-1-8-14-22-21(25)18-12-6-7-13-19(18)23/h17-19H,1-16H2,(H,22,25)/t18-,19+/m1/s1.
What are the key properties of (1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one?
(1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one has a molecular weight of 348.53 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(2-cyclohexylacetyl)-2,9-diazabicyclo[9.4.0]pentadecan-10-one is sourced from PubChem (CID 110201219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).