3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide

C22H32N2O — CID 162525913

IUPAC3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CC2CC(C)(C(=O)NC3CCNC3)CC(c3ccccc3)(C1)C2
InChIInChI=1S/C22H32N2O/c1-16-10-17-12-21(2,20(25)24-19-8-9-23-14-19)15-22(11-16,13-17)18-6-4-3-5-7-18/h3-7,16-17,19,23H,8-15H2,1-2H3,(H,24,25)
InChIKeyPRXHMQXRFYXYSR-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.64
Rot. Bonds3

About 3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide

3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 162525913) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID162525913
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide
SMILESCC1CC2CC(C)(C(=O)NC3CCNC3)CC(c3ccccc3)(C1)C2
InChIInChI=1S/C22H32N2O/c1-16-10-17-12-21(2,20(25)24-19-8-9-23-14-19)15-22(11-16,13-17)18-6-4-3-5-7-18/h3-7,16-17,19,23H,8-15H2,1-2H3,(H,24,25)
InChIKeyPRXHMQXRFYXYSR-UHFFFAOYSA-N
XLogP3.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide (CID 162525913) is 3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide is CC1CC2CC(C)(C(=O)NC3CCNC3)CC(c3ccccc3)(C1)C2.
What is the InChIKey of 3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is PRXHMQXRFYXYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-16-10-17-12-21(2,20(25)24-19-8-9-23-14-19)15-22(11-16,13-17)18-6-4-3-5-7-18/h3-7,16-17,19,23H,8-15H2,1-2H3,(H,24,25).
What are the key properties of 3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide?
3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 340.51 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-phenyl-N-pyrrolidin-3-ylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 162525913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).