2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide

C20H26N2O — CID 18197627

IUPAC2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(CN(C)CC(=O)NC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C20H26N2O/c1-15-10-11-19(16(2)12-15)13-22(4)14-20(23)21-17(3)18-8-6-5-7-9-18/h5-12,17H,13-14H2,1-4H3,(H,21,23)
InChIKeyOPALYCFSKFQEHO-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.61
Rot. Bonds6

About 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide

2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide (PubChem CID 18197627) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
PubChem CID18197627
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(CN(C)CC(=O)NC(C)c2ccccc2)c(C)c1
InChIInChI=1S/C20H26N2O/c1-15-10-11-19(16(2)12-15)13-22(4)14-20(23)21-17(3)18-8-6-5-7-9-18/h5-12,17H,13-14H2,1-4H3,(H,21,23)
InChIKeyOPALYCFSKFQEHO-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dimethylphenyl)methyl-methylamino]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8695736
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 44828236
N-[[(2S)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045913
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(2,4-dimethylphenyl)methyl-methylamino]acetamide
CID 9045908
N-benzhydryl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964153
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2271193
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4883197
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 113161382

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide (CID 18197627) is 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide is Cc1ccc(CN(C)CC(=O)NC(C)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is OPALYCFSKFQEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15-10-11-19(16(2)12-15)13-22(4)14-20(23)21-17(3)18-8-6-5-7-9-18/h5-12,17H,13-14H2,1-4H3,(H,21,23).
What are the key properties of 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide?
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 310.44 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 18197627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).