N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide

C23H28N2O — CID 66799677

IUPACN-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
SMILESCCN1CC2CC1(C(NC(=O)c1c(C)cccc1C)c1ccccc1)C2
InChIInChI=1S/C23H28N2O/c1-4-25-15-18-13-23(25,14-18)21(19-11-6-5-7-12-19)24-22(26)20-16(2)9-8-10-17(20)3/h5-12,18,21H,4,13-15H2,1-3H3,(H,24,26)
InChIKeyCRHBNKXKYWDCGB-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.26
Rot. Bonds5

About N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide

N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide (PubChem CID 66799677) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
PubChem CID66799677
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide
SMILESCCN1CC2CC1(C(NC(=O)c1c(C)cccc1C)c1ccccc1)C2
InChIInChI=1S/C23H28N2O/c1-4-25-15-18-13-23(25,14-18)21(19-11-6-5-7-12-19)24-22(26)20-16(2)9-8-10-17(20)3/h5-12,18,21H,4,13-15H2,1-3H3,(H,24,26)
InChIKeyCRHBNKXKYWDCGB-UHFFFAOYSA-N
XLogP4.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide 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-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide?
The IUPAC name of N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide (CID 66799677) is N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide.
What is the SMILES notation for N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide?
The canonical SMILES for N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide is CCN1CC2CC1(C(NC(=O)c1c(C)cccc1C)c1ccccc1)C2.
What is the InChIKey of N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide?
The InChIKey is CRHBNKXKYWDCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-4-25-15-18-13-23(25,14-18)21(19-11-6-5-7-12-19)24-22(26)20-16(2)9-8-10-17(20)3/h5-12,18,21H,4,13-15H2,1-3H3,(H,24,26).
What are the key properties of N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide?
N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide has a molecular weight of 348.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-2-azabicyclo[2.1.1]hexan-1-yl)-phenylmethyl]-2,6-dimethylbenzamide is sourced from PubChem (CID 66799677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).