N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide

C20H25N3O2 — CID 78825845

IUPACN-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide
SMILESCC(=O)NCCNC(=O)CN(Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C20H25N3O2/c1-16-8-10-19(11-9-16)23(14-18-6-4-3-5-7-18)15-20(25)22-13-12-21-17(2)24/h3-11H,12-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySWMYCFXREIBPFD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.25
Rot. Bonds8

About N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide

N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide (PubChem CID 78825845) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide
PubChem CID78825845
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide
SMILESCC(=O)NCCNC(=O)CN(Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C20H25N3O2/c1-16-8-10-19(11-9-16)23(14-18-6-4-3-5-7-18)15-20(25)22-13-12-21-17(2)24/h3-11H,12-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySWMYCFXREIBPFD-UHFFFAOYSA-N
XLogP2.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
2-(N-benzylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994706
2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
CID 109005918
2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
CID 18166490
2-(N-benzyl-3-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 18230288
N-[2-[benzyl(methyl)amino]ethyl]-2-[N-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 50807890
2-(N-benzyl-4-methylanilino)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 30781190
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
CID 126067032
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
2-(N-benzylanilino)-N,N-diethylacetamide
CID 109005016
N'-methyl-N'-(4-methylphenyl)-2-phenylacetohydrazide
CID 13486901

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide (CID 78825845) is N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide is CC(=O)NCCNC(=O)CN(Cc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide?
The InChIKey is SWMYCFXREIBPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-8-10-19(11-9-16)23(14-18-6-4-3-5-7-18)15-20(25)22-13-12-21-17(2)24/h3-11H,12-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide?
N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(N-benzyl-4-methylanilino)acetamide is sourced from PubChem (CID 78825845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).