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

C24H24N2O2 — CID 108953721

IUPACN'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide
SMILESCc1cc(C)cc(NC(=O)CC(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H24N2O2/c1-18-13-19(2)15-21(14-18)25-23(27)16-24(28)26(22-11-7-4-8-12-22)17-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,25,27)
InChIKeyHXMFVLLACAWHRO-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.87
Rot. Bonds6

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

N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide (PubChem CID 108953721) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide
PubChem CID108953721
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide
SMILESCc1cc(C)cc(NC(=O)CC(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H24N2O2/c1-18-13-19(2)15-21(14-18)25-23(27)16-24(28)26(22-11-7-4-8-12-22)17-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,25,27)
InChIKeyHXMFVLLACAWHRO-UHFFFAOYSA-N
XLogP4.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.87
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'-benzyl-N-(3,5-dimethylphenyl)-N'-ethylpropanediamide
CID 108947341
N-benzyl-N'-(3,5-dimethylphenyl)propanediamide
CID 50949014
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
CID 108945995
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
N'-benzyl-N-pentyl-N'-phenylpropanediamide
CID 108951958
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
CID 108947400
N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46046062
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 7819908
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-(N-benzylanilino)-N-(4-methylphenyl)acetamide
CID 109007221
N-[4-(diethylamino)phenyl]-N'-ethyl-N'-phenylpropanediamide
CID 108954138
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 16608497

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide?
The IUPAC name of N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide (CID 108953721) is N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide.
What is the SMILES notation for N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide?
The canonical SMILES for N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide is Cc1cc(C)cc(NC(=O)CC(=O)N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide?
The InChIKey is HXMFVLLACAWHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18-13-19(2)15-21(14-18)25-23(27)16-24(28)26(22-11-7-4-8-12-22)17-20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,25,27).
What are the key properties of N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide?
N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide has a molecular weight of 372.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(3,5-dimethylphenyl)-N'-phenylpropanediamide is sourced from PubChem (CID 108953721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).