N-benzyl-N'-(3,5-dimethylphenyl)propanediamide

C18H20N2O2 — CID 50949014

IUPACN-benzyl-N'-(3,5-dimethylphenyl)propanediamide
SMILESCc1cc(C)cc(NC(=O)CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-13-8-14(2)10-16(9-13)20-18(22)11-17(21)19-12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVOAITUCUPFWNRI-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.95
Rot. Bonds5

About N-benzyl-N'-(3,5-dimethylphenyl)propanediamide

N-benzyl-N'-(3,5-dimethylphenyl)propanediamide (PubChem CID 50949014) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-benzyl-N'-(3,5-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-benzyl-N'-(3,5-dimethylphenyl)propanediamide
PubChem CID50949014
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-benzyl-N'-(3,5-dimethylphenyl)propanediamide
SMILESCc1cc(C)cc(NC(=O)CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H20N2O2/c1-13-8-14(2)10-16(9-13)20-18(22)11-17(21)19-12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVOAITUCUPFWNRI-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.95
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'-(3,5-dimethylphenyl)-N-[(3-methylphenyl)methyl]propanediamide
CID 108945602
N'-(3-acetylphenyl)-N-benzylpropanediamide
CID 108945305
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
2-[2-(benzylamino)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzamide
CID 174959966
methyl 3-[[3-(benzylamino)-3-oxopropanoyl]amino]benzoate
CID 108945310
N'-(3,5-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952910
N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide
CID 108953721
N'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
CID 108947341
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270
N-benzyl-N'-(4-methylphenyl)decanediamide
CID 173311347
N'-(3,5-dimethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948677

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(3,5-dimethylphenyl)propanediamide?
The IUPAC name of N-benzyl-N'-(3,5-dimethylphenyl)propanediamide (CID 50949014) is N-benzyl-N'-(3,5-dimethylphenyl)propanediamide.
What is the SMILES notation for N-benzyl-N'-(3,5-dimethylphenyl)propanediamide?
The canonical SMILES for N-benzyl-N'-(3,5-dimethylphenyl)propanediamide is Cc1cc(C)cc(NC(=O)CC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-N'-(3,5-dimethylphenyl)propanediamide?
The InChIKey is VOAITUCUPFWNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-8-14(2)10-16(9-13)20-18(22)11-17(21)19-12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-N'-(3,5-dimethylphenyl)propanediamide?
N-benzyl-N'-(3,5-dimethylphenyl)propanediamide has a molecular weight of 296.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(3,5-dimethylphenyl)propanediamide is sourced from PubChem (CID 50949014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).