N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

C17H27NO2 — CID 3706514

IUPACN-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESCC12COC3(C(=O)NC4CCCCC4)CC1CCC32C
InChIInChI=1S/C17H27NO2/c1-15-11-20-17(10-12(15)8-9-16(15,17)2)14(19)18-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyXIHAFSDHTOCIIO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.03
Rot. Bonds2

About N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (PubChem CID 3706514) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
PubChem CID3706514
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESCC12COC3(C(=O)NC4CCCCC4)CC1CCC32C
InChIInChI=1S/C17H27NO2/c1-15-11-20-17(10-12(15)8-9-16(15,17)2)14(19)18-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,18,19)
InChIKeyXIHAFSDHTOCIIO-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide 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-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The IUPAC name of N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (CID 3706514) is N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is CC12COC3(C(=O)NC4CCCCC4)CC1CCC32C.
What is the InChIKey of N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The InChIKey is XIHAFSDHTOCIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-15-11-20-17(10-12(15)8-9-16(15,17)2)14(19)18-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H,18,19).
What are the key properties of N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is sourced from PubChem (CID 3706514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).