[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium

C21H29N2O+ — CID 9073183

IUPAC[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C21H28N2O/c1-5-23(6-2)15-20-10-8-7-9-19(20)14-22-21(24)18-12-11-16(3)17(4)13-18/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)/p+1
InChIKeyQGMJUULSCCCPQD-UHFFFAOYSA-O
MW325.48 g/mol
LogP2.66
Rot. Bonds7

About [2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium

[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium (PubChem CID 9073183) has the molecular formula C21H29N2O+ and a molecular weight of 325.48 g/mol. Its IUPAC name is [2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium.

Molecular Properties

Compound Name[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium
PubChem CID9073183
Molecular FormulaC21H29N2O+
Molecular Weight325.48 g/mol
Exact Mass325.23
IUPAC Name[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C21H28N2O/c1-5-23(6-2)15-20-10-8-7-9-19(20)14-22-21(24)18-12-11-16(3)17(4)13-18/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)/p+1
InChIKeyQGMJUULSCCCPQD-UHFFFAOYSA-O
XLogP2.66
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
[2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 9073364
[2-[[(3,4-dimethylphenyl)carbamothioylamino]methyl]phenyl]methyl-diethylazanium
CID 8560048
[2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9074227
N-[(2-ethoxyphenyl)methyl]-3-methoxy-4-methylbenzamide
CID 60565957
diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 9074333
diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium
CID 9073334
diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium
CID 9073963
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2-methylphenyl)methyl]benzamide
CID 144948628
[2-[[(5-bromo-2-chlorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073050
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691

Frequently Asked Questions

What is the IUPAC name of [2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium?
The IUPAC name of [2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium (CID 9073183) is [2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium.
What is the SMILES notation for [2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium?
The canonical SMILES for [2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium is CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of [2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium?
The InChIKey is QGMJUULSCCCPQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H28N2O/c1-5-23(6-2)15-20-10-8-7-9-19(20)14-22-21(24)18-12-11-16(3)17(4)13-18/h7-13H,5-6,14-15H2,1-4H3,(H,22,24)/p+1.
What are the key properties of [2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium?
[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium has a molecular weight of 325.48 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium is sourced from PubChem (CID 9073183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).