(1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

C20H36N2O — CID 110199410

IUPAC(1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(CC2CCCCC2)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C20H36N2O/c1-21-14-7-2-3-8-15-22(16-17-10-5-4-6-11-17)19-13-9-12-18(19)20(21)23/h17-19H,2-16H2,1H3/t18-,19+/m1/s1
InChIKeyYOIUWCGUVVLBKL-MOPGFXCFSA-N
MW320.52 g/mol
LogP4.07
Rot. Bonds2

About (1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one

(1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (PubChem CID 110199410) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is (1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.

Molecular Properties

Compound Name(1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
PubChem CID110199410
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Name(1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
SMILESCN1CCCCCCN(CC2CCCCC2)[C@H]2CCC[C@H]2C1=O
InChIInChI=1S/C20H36N2O/c1-21-14-7-2-3-8-15-22(16-17-10-5-4-6-11-17)19-13-9-12-18(19)20(21)23/h17-19H,2-16H2,1H3/t18-,19+/m1/s1
InChIKeyYOIUWCGUVVLBKL-MOPGFXCFSA-N
XLogP4.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The IUPAC name of (1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one (CID 110199410) is (1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one.
What is the SMILES notation for (1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The canonical SMILES for (1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is CN1CCCCCCN(CC2CCCCC2)[C@H]2CCC[C@H]2C1=O.
What is the InChIKey of (1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
The InChIKey is YOIUWCGUVVLBKL-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H36N2O/c1-21-14-7-2-3-8-15-22(16-17-10-5-4-6-11-17)19-13-9-12-18(19)20(21)23/h17-19H,2-16H2,1H3/t18-,19+/m1/s1.
What are the key properties of (1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one?
(1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one has a molecular weight of 320.52 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11R)-2-(cyclohexylmethyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one is sourced from PubChem (CID 110199410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).