N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

C20H33NO2 — CID 110134886

IUPACN-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
SMILESCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C4CCCCC4)OCCC31C2
InChIInChI=1S/C20H33NO2/c1-13(22)21-18-19(2,3)15-11-16-17(14-7-5-4-6-8-14)23-10-9-20(16,18)12-15/h14-18H,4-12H2,1-3H3,(H,21,22)/t15-,16-,17-,18-,20?/m1/s1
InChIKeyCCHNBKCQWULBML-PCMBYBMQSA-N
MW319.49 g/mol
LogP3.91
Rot. Bonds2

About N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (PubChem CID 110134886) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.

Molecular Properties

Compound NameN-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
PubChem CID110134886
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC NameN-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
SMILESCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C4CCCCC4)OCCC31C2
InChIInChI=1S/C20H33NO2/c1-13(22)21-18-19(2,3)15-11-16-17(14-7-5-4-6-8-14)23-10-9-20(16,18)12-15/h14-18H,4-12H2,1-3H3,(H,21,22)/t15-,16-,17-,18-,20?/m1/s1
InChIKeyCCHNBKCQWULBML-PCMBYBMQSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The IUPAC name of N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (CID 110134886) is N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.
What is the SMILES notation for N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The canonical SMILES for N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide is CC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C4CCCCC4)OCCC31C2.
What is the InChIKey of N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The InChIKey is CCHNBKCQWULBML-PCMBYBMQSA-N. The full InChI is InChI=1S/C20H33NO2/c1-13(22)21-18-19(2,3)15-11-16-17(14-7-5-4-6-8-14)23-10-9-20(16,18)12-15/h14-18H,4-12H2,1-3H3,(H,21,22)/t15-,16-,17-,18-,20?/m1/s1.
What are the key properties of N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide has a molecular weight of 319.49 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,6S,8R,10R)-5-cyclohexyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide is sourced from PubChem (CID 110134886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).