3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid

C17H26N2O5 — CID 171154464

IUPAC3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid
SMILESCCCCN(C)CCC(=O)Nc1ccc(C)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2O.C2H2O4/c1-4-5-11-17(3)12-10-15(18)16-14-8-6-13(2)7-9-14;3-1(4)2(5)6/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);(H,3,4)(H,5,6)
InChIKeyQCZSHYVMZIKMAD-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.21
Rot. Bonds7

About 3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid

3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid (PubChem CID 171154464) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid
PubChem CID171154464
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid
SMILESCCCCN(C)CCC(=O)Nc1ccc(C)cc1.O=C(O)C(=O)O
InChIInChI=1S/C15H24N2O.C2H2O4/c1-4-5-11-17(3)12-10-15(18)16-14-8-6-13(2)7-9-14;3-1(4)2(5)6/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);(H,3,4)(H,5,6)
InChIKeyQCZSHYVMZIKMAD-UHFFFAOYSA-N
XLogP2.21
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid 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

3-[butyl(methyl)amino]-N-(4-fluorophenyl)propanamide;oxalic acid
CID 171154590
3-[butyl(methyl)amino]-N-(4-iodophenyl)propanamide
CID 108795422
3-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 108795261
N-(4-methylphenyl)pentanamide
CID 3662375
3-[heptyl(methyl)amino]-N-[4-[[4-[3-[heptyl(methyl)amino]propanoylamino]phenyl]methyl]phenyl]propanamide
CID 139954498
N-(3-bromo-4-methylphenyl)-3-[butyl(methyl)amino]propanamide
CID 109032458
3-[butyl(methyl)amino]-N-(3,4-difluorophenyl)propanamide
CID 2167939
N-(4-bromo-3-methylphenyl)-3-[butyl(methyl)amino]propanamide;hydrochloride
CID 2902956
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
CID 2902080
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 108795373
N-(3-amino-4-fluorophenyl)-3-[butyl(methyl)amino]propanamide
CID 18071143
2-[acetyl(butyl)amino]-N-(4-methylphenyl)acetamide
CID 113158704

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid?
The IUPAC name of 3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid (CID 171154464) is 3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid.
What is the SMILES notation for 3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid?
The canonical SMILES for 3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid is CCCCN(C)CCC(=O)Nc1ccc(C)cc1.O=C(O)C(=O)O.
What is the InChIKey of 3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid?
The InChIKey is QCZSHYVMZIKMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.C2H2O4/c1-4-5-11-17(3)12-10-15(18)16-14-8-6-13(2)7-9-14;3-1(4)2(5)6/h6-9H,4-5,10-12H2,1-3H3,(H,16,18);(H,3,4)(H,5,6).
What are the key properties of 3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid?
3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid has a molecular weight of 338.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-N-(4-methylphenyl)propanamide;oxalic acid is sourced from PubChem (CID 171154464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).