N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide

C22H28N2O2 — CID 108967923

IUPACN-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1cc(C)ccc1C)c1cccc(C)c1
InChIInChI=1S/C22H28N2O2/c1-7-24(18-10-8-9-15(2)13-18)21(26)22(5,6)20(25)23-19-14-16(3)11-12-17(19)4/h8-14H,7H2,1-6H3,(H,23,25)
InChIKeyUDBXEKAXQLYQGW-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.63
Rot. Bonds5

About N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide

N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide (PubChem CID 108967923) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
PubChem CID108967923
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)C(C)(C)C(=O)Nc1cc(C)ccc1C)c1cccc(C)c1
InChIInChI=1S/C22H28N2O2/c1-7-24(18-10-8-9-15(2)13-18)21(26)22(5,6)20(25)23-19-14-16(3)11-12-17(19)4/h8-14H,7H2,1-6H3,(H,23,25)
InChIKeyUDBXEKAXQLYQGW-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.63
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-ethyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969573
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108970173
N-(4-chlorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969024
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-propan-2-ylpropanediamide
CID 108957363
N-ethyl-N'-(4-methoxyphenyl)-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108969447
N-(3-chloro-4-fluorophenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108969220
N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108969620
2,2,2-trichloro-N-ethyl-N-(3-methylphenyl)acetamide
CID 533177
N-ethyl-N'-[(4-fluorophenyl)methyl]-2,2-dimethyl-N-(3-methylphenyl)propanediamide
CID 108962651
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-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide (CID 108967923) is N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide is CCN(C(=O)C(C)(C)C(=O)Nc1cc(C)ccc1C)c1cccc(C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
The InChIKey is UDBXEKAXQLYQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-7-24(18-10-8-9-15(2)13-18)21(26)22(5,6)20(25)23-19-14-16(3)11-12-17(19)4/h8-14H,7H2,1-6H3,(H,23,25).
What are the key properties of N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide?
N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide has a molecular weight of 352.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-ethyl-2,2-dimethyl-N'-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108967923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).