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

C17H21NO2 — CID 3151888

IUPAC6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESCC12COC3(C(=O)Nc4ccccc4)CC1CCC32C
InChIInChI=1S/C17H21NO2/c1-15-11-20-17(10-12(15)8-9-16(15,17)2)14(19)18-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,19)
InChIKeyGAMUGJJTKGMFOH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.22
Rot. Bonds2

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

6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (PubChem CID 3151888) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
PubChem CID3151888
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESCC12COC3(C(=O)Nc4ccccc4)CC1CCC32C
InChIInChI=1S/C17H21NO2/c1-15-11-20-17(10-12(15)8-9-16(15,17)2)14(19)18-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,19)
InChIKeyGAMUGJJTKGMFOH-UHFFFAOYSA-N
XLogP3.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The IUPAC name of 6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (CID 3151888) is 6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The canonical SMILES for 6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is CC12COC3(C(=O)Nc4ccccc4)CC1CCC32C.
What is the InChIKey of 6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The InChIKey is GAMUGJJTKGMFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-15-11-20-17(10-12(15)8-9-16(15,17)2)14(19)18-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,18,19).
What are the key properties of 6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is sourced from PubChem (CID 3151888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).