N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide

C20H25N3O2 — CID 142205857

IUPACN'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide
SMILESCNc1ccccc1NC(=O)CCC(=O)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C20H25N3O2/c1-15-8-10-16(11-9-15)14-23(3)20(25)13-12-19(24)22-18-7-5-4-6-17(18)21-2/h4-11,21H,12-14H2,1-3H3,(H,22,24)
InChIKeyKYSPEYSWMKLREX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.41
Rot. Bonds7

About N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide

N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide (PubChem CID 142205857) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide.

Molecular Properties

Compound NameN'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide
PubChem CID142205857
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide
SMILESCNc1ccccc1NC(=O)CCC(=O)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C20H25N3O2/c1-15-8-10-16(11-9-15)14-23(3)20(25)13-12-19(24)22-18-7-5-4-6-17(18)21-2/h4-11,21H,12-14H2,1-3H3,(H,22,24)
InChIKeyKYSPEYSWMKLREX-UHFFFAOYSA-N
XLogP3.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-(methylamino)benzoate
CID 7953704
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105
N-methyl-4-[[methyl-[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]benzamide
CID 8965301
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium
CID 9287627
N-methyl-N-[(4-methylphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 18114332
(4-methylphenyl) 4-[benzyl(methyl)amino]-4-oxobutanoate
CID 921084
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746
N-methyl-3-(4-methylphenyl)-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38768176
N-benzyl-N-methyl-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154235
2-chloro-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 2450177
2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038323
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 78801197

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide?
The IUPAC name of N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide (CID 142205857) is N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide.
What is the SMILES notation for N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide?
The canonical SMILES for N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide is CNc1ccccc1NC(=O)CCC(=O)N(C)Cc1ccc(C)cc1.
What is the InChIKey of N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide?
The InChIKey is KYSPEYSWMKLREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-8-10-16(11-9-15)14-23(3)20(25)13-12-19(24)22-18-7-5-4-6-17(18)21-2/h4-11,21H,12-14H2,1-3H3,(H,22,24).
What are the key properties of N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide?
N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide has a molecular weight of 339.44 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[2-(methylamino)phenyl]-N'-[(4-methylphenyl)methyl]butanediamide is sourced from PubChem (CID 142205857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).