2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide

C21H28N2O — CID 10639729

IUPAC2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide
SMILESCCN(Cc1ccccc1)Cc1ccccc1C(=O)N(CC)CC
InChIInChI=1S/C21H28N2O/c1-4-22(16-18-12-8-7-9-13-18)17-19-14-10-11-15-20(19)21(24)23(5-2)6-3/h7-15H,4-6,16-17H2,1-3H3
InChIKeyQFLZAGNGBAZYTH-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.19
Rot. Bonds8

About 2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide

2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide (PubChem CID 10639729) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide
PubChem CID10639729
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide
SMILESCCN(Cc1ccccc1)Cc1ccccc1C(=O)N(CC)CC
InChIInChI=1S/C21H28N2O/c1-4-22(16-18-12-8-7-9-13-18)17-19-14-10-11-15-20(19)21(24)23(5-2)6-3/h7-15H,4-6,16-17H2,1-3H3
InChIKeyQFLZAGNGBAZYTH-UHFFFAOYSA-N
XLogP4.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide 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 2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide?
The IUPAC name of 2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide (CID 10639729) is 2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide.
What is the SMILES notation for 2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide?
The canonical SMILES for 2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide is CCN(Cc1ccccc1)Cc1ccccc1C(=O)N(CC)CC.
What is the InChIKey of 2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide?
The InChIKey is QFLZAGNGBAZYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-22(16-18-12-8-7-9-13-18)17-19-14-10-11-15-20(19)21(24)23(5-2)6-3/h7-15H,4-6,16-17H2,1-3H3.
What are the key properties of 2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide?
2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide has a molecular weight of 324.47 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(ethyl)amino]methyl]-N,N-diethylbenzamide is sourced from PubChem (CID 10639729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).