N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide

C22H28N2O2 — CID 108963266

IUPACN-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccccc1NC(=O)C(C)(C)C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-5-18-14-10-11-15-19(18)23-20(25)22(3,4)21(26)24(6-2)16-17-12-8-7-9-13-17/h7-15H,5-6,16H2,1-4H3,(H,23,25)
InChIKeyAWJJCXYSVBOGFF-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.26
Rot. Bonds7

About N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide

N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108963266) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108963266
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccccc1NC(=O)C(C)(C)C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C22H28N2O2/c1-5-18-14-10-11-15-19(18)23-20(25)22(3,4)21(26)24(6-2)16-17-12-8-7-9-13-17/h7-15H,5-6,16H2,1-4H3,(H,23,25)
InChIKeyAWJJCXYSVBOGFF-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-ethyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108963299
methyl 2-[[3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108963306
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82812836
N-benzyl-N-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108963293
N-(2-ethylphenyl)-2-methyl-2-phenylpropanamide
CID 8839434
N-(4-acetamidophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968225
N-benzyl-N-ethyl-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108963223
N-benzyl-N'-(2-bromophenyl)-N,2,2-trimethylpropanediamide
CID 108962356
N-(2,3-dichlorophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965784
N-(4-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968199
N-(2-ethylphenyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960926

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide (CID 108963266) is N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide is CCc1ccccc1NC(=O)C(C)(C)C(=O)N(CC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is AWJJCXYSVBOGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-18-14-10-11-15-19(18)23-20(25)22(3,4)21(26)24(6-2)16-17-12-8-7-9-13-17/h7-15H,5-6,16H2,1-4H3,(H,23,25).
What are the key properties of N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide?
N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 352.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108963266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).