1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide

C23H28N2O — CID 5130823

IUPAC1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)N(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H28N2O/c1-22(2)14-20-15-23(3,16-22)17-24(20)21(26)25(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3
InChIKeyIIRZFCFQWYZSBB-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.85
Rot. Bonds2

About 1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide

1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide (PubChem CID 5130823) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide.

Molecular Properties

Compound Name1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide
PubChem CID5130823
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide
SMILESCC1(C)CC2CC(C)(CN2C(=O)N(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H28N2O/c1-22(2)14-20-15-23(3,16-22)17-24(20)21(26)25(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3
InChIKeyIIRZFCFQWYZSBB-UHFFFAOYSA-N
XLogP5.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-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 1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide?
The IUPAC name of 1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide (CID 5130823) is 1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide.
What is the SMILES notation for 1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide?
The canonical SMILES for 1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide is CC1(C)CC2CC(C)(CN2C(=O)N(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide?
The InChIKey is IIRZFCFQWYZSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-22(2)14-20-15-23(3,16-22)17-24(20)21(26)25(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide?
1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide is sourced from PubChem (CID 5130823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).