2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

C21H27N2O2+ — CID 9481202

IUPAC2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1
InChIInChI=1S/C21H26N2O2/c1-16-7-8-17(2)20(13-16)21(24)22-14-18-5-3-4-6-19(18)15-23-9-11-25-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)/p+1
InChIKeyTZNFLKGPGHSFPP-UHFFFAOYSA-O
MW339.46 g/mol
LogP1.65
Rot. Bonds5

About 2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide

2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide (PubChem CID 9481202) has the molecular formula C21H27N2O2+ and a molecular weight of 339.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
PubChem CID9481202
Molecular FormulaC21H27N2O2+
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1
InChIInChI=1S/C21H26N2O2/c1-16-7-8-17(2)20(13-16)21(24)22-14-18-5-3-4-6-19(18)15-23-9-11-25-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)/p+1
InChIKeyTZNFLKGPGHSFPP-UHFFFAOYSA-O
XLogP1.65
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide 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-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
2,5-dimethyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24535412
4-(methoxymethyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481322
4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481472
1-(3-methylphenyl)-3-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]thiourea
CID 8599954
N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 9209104
2-(2,4-dimethoxyphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481630
2-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide chloride
CID 43834667
(E)-3-(3-methylthiophen-2-yl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481514
(E)-3-(4-bromophenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481446
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
2-chloro-4-methyl-N-(2-morpholin-4-ium-4-ylethyl)benzamide
CID 7286130

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide (CID 9481202) is 2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide is Cc1ccc(C)c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1.
What is the InChIKey of 2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is TZNFLKGPGHSFPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H26N2O2/c1-16-7-8-17(2)20(13-16)21(24)22-14-18-5-3-4-6-19(18)15-23-9-11-25-12-10-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)/p+1.
What are the key properties of 2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide?
2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 339.46 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9481202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).