3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid

C21H26N2O5 — CID 171154393

IUPAC3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
SMILESCc1ccc(C)c(NC(=O)CCN(C)Cc2ccccc2)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H24N2O.C2H2O4/c1-15-9-10-16(2)18(13-15)20-19(22)11-12-21(3)14-17-7-5-4-6-8-17;3-1(4)2(5)6/h4-10,13H,11-12,14H2,1-3H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyZNPFNULRLUOXEH-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.92
Rot. Bonds6

About 3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid

3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid (PubChem CID 171154393) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
PubChem CID171154393
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid
SMILESCc1ccc(C)c(NC(=O)CCN(C)Cc2ccccc2)c1.O=C(O)C(=O)O
InChIInChI=1S/C19H24N2O.C2H2O4/c1-15-9-10-16(2)18(13-15)20-19(22)11-12-21(3)14-17-7-5-4-6-8-17;3-1(4)2(5)6/h4-10,13H,11-12,14H2,1-3H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyZNPFNULRLUOXEH-UHFFFAOYSA-N
XLogP2.92
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
3-(N-acetylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113123430
3-[butyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;hydrochloride
CID 2902080
3-benzylsulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 8797847
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-methylpropanamide
CID 84562482
3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 109023093
3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109016422
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139245
N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953156

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid?
The IUPAC name of 3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid (CID 171154393) is 3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid.
What is the SMILES notation for 3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid?
The canonical SMILES for 3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid is Cc1ccc(C)c(NC(=O)CCN(C)Cc2ccccc2)c1.O=C(O)C(=O)O.
What is the InChIKey of 3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid?
The InChIKey is ZNPFNULRLUOXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.C2H2O4/c1-15-9-10-16(2)18(13-15)20-19(22)11-12-21(3)14-17-7-5-4-6-8-17;3-1(4)2(5)6/h4-10,13H,11-12,14H2,1-3H3,(H,20,22);(H,3,4)(H,5,6).
What are the key properties of 3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid?
3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid has a molecular weight of 386.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-N-(2,5-dimethylphenyl)propanamide;oxalic acid is sourced from PubChem (CID 171154393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).