N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide

C18H20N2O2 — CID 108952911

IUPACN'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H20N2O2/c1-12-7-4-5-10-15(12)19-16(21)11-17(22)20-18-13(2)8-6-9-14(18)3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyJPYVMICYIPZIGY-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.58
Rot. Bonds4

About N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide

N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide (PubChem CID 108952911) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
PubChem CID108952911
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H20N2O2/c1-12-7-4-5-10-15(12)19-16(21)11-17(22)20-18-13(2)8-6-9-14(18)3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyJPYVMICYIPZIGY-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'-(2,6-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]propanediamide
CID 108953788
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
2-(2,6-difluoroanilino)-N-(2-methylphenyl)acetamide
CID 28879023
N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952910
4-N-(2,6-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049294
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 9222015
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide?
The IUPAC name of N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide (CID 108952911) is N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide.
What is the SMILES notation for N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide?
The canonical SMILES for N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide is Cc1ccccc1NC(=O)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide?
The InChIKey is JPYVMICYIPZIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-7-4-5-10-15(12)19-16(21)11-17(22)20-18-13(2)8-6-9-14(18)3/h4-10H,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide?
N'-(2,6-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'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide is sourced from PubChem (CID 108952911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).