N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide

C21H26N2O2 — CID 108967866

IUPACN-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccc(NC(=O)C(C)(C)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H26N2O2/c1-6-16-9-11-17(12-10-16)22-19(24)21(4,5)20(25)23-18-13-14(2)7-8-15(18)3/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyVPXQKDNSTDXKSQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.47
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide

N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108967866) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108967866
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
SMILESCCc1ccc(NC(=O)C(C)(C)C(=O)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C21H26N2O2/c1-6-16-9-11-17(12-10-16)22-19(24)21(4,5)20(25)23-18-13-14(2)7-8-15(18)3/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyVPXQKDNSTDXKSQ-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
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
N-(2,5-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108967888
N-butyl-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide
CID 108957863
ethyl 4-[[3-(4-ethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108968302
2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
CID 79797135
N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966385
methyl 2-[[3-(2,5-dimethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108967901
methyl 4-[[3-(2,4-dimethylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108967835
(2S)-N-(2,5-dimethylphenyl)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanamide
CID 7729734
N-(4-acetylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967830
N-(3-chloro-4-methylphenyl)-N'-(2,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967810

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide (CID 108967866) is N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide is CCc1ccc(NC(=O)C(C)(C)C(=O)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is VPXQKDNSTDXKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-6-16-9-11-17(12-10-16)22-19(24)21(4,5)20(25)23-18-13-14(2)7-8-15(18)3/h7-13H,6H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide?
N-(2,5-dimethylphenyl)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 338.45 g/mol, XLogP of 4.47, 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)-N'-(4-ethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108967866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).