2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide

C22H28N2O — CID 60585170

IUPAC2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccccc2)CC2CCC2)c(C)c1
InChIInChI=1S/C22H28N2O/c1-17-11-12-21(18(2)13-17)23-22(25)16-24(15-20-9-6-10-20)14-19-7-4-3-5-8-19/h3-5,7-8,11-13,20H,6,9-10,14-16H2,1-2H3,(H,23,25)
InChIKeyBKXFNOYCYYOWNE-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.54
Rot. Bonds7

About 2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide

2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 60585170) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID60585170
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccccc2)CC2CCC2)c(C)c1
InChIInChI=1S/C22H28N2O/c1-17-11-12-21(18(2)13-17)23-22(25)16-24(15-20-9-6-10-20)14-19-7-4-3-5-8-19/h3-5,7-8,11-13,20H,6,9-10,14-16H2,1-2H3,(H,23,25)
InChIKeyBKXFNOYCYYOWNE-UHFFFAOYSA-N
XLogP4.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide 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

2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
2-[4-[[benzyl-[2-(2,4-dimethylanilino)-2-oxoethyl]amino]methyl]phenoxy]-2-methylpropanoic acid
CID 46890332
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 55995832
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 43655679
2-[acetyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113164038
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 18286925
2-[acetyl(3-phenylpropyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 113165855
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide (CID 60585170) is 2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(Cc2ccccc2)CC2CCC2)c(C)c1.
What is the InChIKey of 2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is BKXFNOYCYYOWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17-11-12-21(18(2)13-17)23-22(25)16-24(15-20-9-6-10-20)14-19-7-4-3-5-8-19/h3-5,7-8,11-13,20H,6,9-10,14-16H2,1-2H3,(H,23,25).
What are the key properties of 2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide?
2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 336.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(cyclobutylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 60585170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).