N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride

C13H21ClN2O — CID 119669251

IUPACN-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(C)ccc1C.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-10-6-7-11(2)12(9-10)15-13(16)5-4-8-14-3;/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16);1H
InChIKeyIFAUNKZDJVTSID-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.66
Rot. Bonds5

About N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride

N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride (PubChem CID 119669251) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
PubChem CID119669251
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(C)ccc1C.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-10-6-7-11(2)12(9-10)15-13(16)5-4-8-14-3;/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16);1H
InChIKeyIFAUNKZDJVTSID-UHFFFAOYSA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride 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-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119705332
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119764217
4-(methylamino)-N-[2-methyl-5-(methylsulfamoyl)phenyl]butanamide
CID 60841151
N-(2,5-dimethylphenyl)-4-(4-ethoxyphenoxy)butanamide
CID 7991934
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
4-(methylamino)-N-(4-methylphenyl)butanamide
CID 60842217
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
CID 2902080

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride (CID 119669251) is N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1cc(C)ccc1C.Cl.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride?
The InChIKey is IFAUNKZDJVTSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-10-6-7-11(2)12(9-10)15-13(16)5-4-8-14-3;/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride?
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119669251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).