N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide

C19H22N2O2 — CID 108946105

IUPACN'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
SMILESCc1cccc(NC(=O)CC(=O)N(C)Cc2ccccc2)c1C
InChIInChI=1S/C19H22N2O2/c1-14-8-7-11-17(15(14)2)20-18(22)12-19(23)21(3)13-16-9-5-4-6-10-16/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyVVPQFXDBMOHUMO-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.29
Rot. Bonds5

About N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide

N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide (PubChem CID 108946105) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
PubChem CID108946105
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
SMILESCc1cccc(NC(=O)CC(=O)N(C)Cc2ccccc2)c1C
InChIInChI=1S/C19H22N2O2/c1-14-8-7-11-17(15(14)2)20-18(22)12-19(23)21(3)13-16-9-5-4-6-10-16/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyVVPQFXDBMOHUMO-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.29
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-(4-bromo-2-methylphenyl)-N'-methylpropanediamide
CID 108946169
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]azanium
CID 9287627
N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
CID 108946174
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 109031799
N-(2,3-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9287622
[2-[benzyl(methyl)amino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221977
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 119268365
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]azanium
CID 8552998

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide?
The IUPAC name of N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide (CID 108946105) is N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide.
What is the SMILES notation for N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide?
The canonical SMILES for N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide is Cc1cccc(NC(=O)CC(=O)N(C)Cc2ccccc2)c1C.
What is the InChIKey of N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide?
The InChIKey is VVPQFXDBMOHUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-8-7-11-17(15(14)2)20-18(22)12-19(23)21(3)13-16-9-5-4-6-10-16/h4-11H,12-13H2,1-3H3,(H,20,22).
What are the key properties of N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide?
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide has a molecular weight of 310.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide is sourced from PubChem (CID 108946105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).