3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide

C18H23NO2 — CID 137435973

IUPAC3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CC2CC(C)(C(=O)N=O)CC(c3ccccc3)(C1)C2
InChIInChI=1S/C18H23NO2/c1-13-8-14-10-17(2,16(20)19-21)12-18(9-13,11-14)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
InChIKeyRHPRJLNOSABFKX-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.45
Rot. Bonds2

About 3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide

3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 137435973) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID137435973
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CC2CC(C)(C(=O)N=O)CC(c3ccccc3)(C1)C2
InChIInChI=1S/C18H23NO2/c1-13-8-14-10-17(2,16(20)19-21)12-18(9-13,11-14)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3
InChIKeyRHPRJLNOSABFKX-UHFFFAOYSA-N
XLogP4.45
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide (CID 137435973) is 3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide is CC1CC2CC(C)(C(=O)N=O)CC(c3ccccc3)(C1)C2.
What is the InChIKey of 3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is RHPRJLNOSABFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-8-14-10-17(2,16(20)19-21)12-18(9-13,11-14)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3.
What are the key properties of 3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide?
3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-oxo-1-phenylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 137435973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).