N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide

C21H26N2O2 — CID 108962157

IUPACN-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
SMILESCc1ccc(C)c(NC(=O)C(C)(C)C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-14-11-12-15(2)18(13-14)23-20(25)21(4,5)19(24)22-16(3)17-9-7-6-8-10-17/h6-13,16H,1-5H3,(H,22,24)(H,23,25)
InChIKeyUICHQBLAYDLHHG-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.15
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide

N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide (PubChem CID 108962157) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
PubChem CID108962157
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
SMILESCc1ccc(C)c(NC(=O)C(C)(C)C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c1-14-11-12-15(2)18(13-14)23-20(25)21(4,5)19(24)22-16(3)17-9-7-6-8-10-17/h6-13,16H,1-5H3,(H,22,24)(H,23,25)
InChIKeyUICHQBLAYDLHHG-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-N'-(2,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108965970
3-(2,5-dimethylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821167
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197
methyl 2-[[3-(2,5-dimethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108967901
N-(4-fluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962173
N-(3,4-difluorophenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962236
3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841883
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108967888
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide (CID 108962157) is N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide is Cc1ccc(C)c(NC(=O)C(C)(C)C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
The InChIKey is UICHQBLAYDLHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-11-12-15(2)18(13-14)23-20(25)21(4,5)19(24)22-16(3)17-9-7-6-8-10-17/h6-13,16H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide?
N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide has a molecular weight of 338.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,2-dimethyl-N'-(1-phenylethyl)propanediamide is sourced from PubChem (CID 108962157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).