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

C18H20N2O2 — CID 108952910

IUPACN'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide
SMILESCc1cc(C)cc(NC(=O)CC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C18H20N2O2/c1-12-8-13(2)10-15(9-12)19-17(21)11-18(22)20-16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyMCKHGXINAQWKAF-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.58
Rot. Bonds4

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

N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide (PubChem CID 108952910) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide
PubChem CID108952910
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide
SMILESCc1cc(C)cc(NC(=O)CC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C18H20N2O2/c1-12-8-13(2)10-15(9-12)19-17(21)11-18(22)20-16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyMCKHGXINAQWKAF-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.58
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'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N-benzyl-N'-(3,5-dimethylphenyl)propanediamide
CID 50949014
N'-(2-bromophenyl)-N-(2,4-dimethylphenyl)propanediamide
CID 108953507
N-(2-bromophenyl)-N'-(2,5-dimethylphenyl)propanediamide
CID 108953594
3-(3-methylanilino)-N-(2-methylphenyl)propanamide
CID 109033964
2-(2,4-dimethylphenyl)-N-(2-methylphenyl)acetamide
CID 100747569
N'-(2,6-difluorophenyl)-N-(3,5-dimethylphenyl)propanediamide
CID 108953753
N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
CID 108954873

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide?
The IUPAC name of N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide (CID 108952910) is N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide is Cc1cc(C)cc(NC(=O)CC(=O)Nc2ccccc2C)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide?
The InChIKey is MCKHGXINAQWKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-8-13(2)10-15(9-12)19-17(21)11-18(22)20-16-7-5-4-6-14(16)3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide?
N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide has a molecular weight of 296.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide is sourced from PubChem (CID 108952910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).