N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide

C20H24N2O4 — CID 108947379

IUPACN'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C20H24N2O4/c1-4-22(14-15-8-6-5-7-9-15)20(24)13-19(23)21-17-11-10-16(25-2)12-18(17)26-3/h5-12H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyBUTRJTKQIAQLLM-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.08
Rot. Bonds8

About N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide

N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide (PubChem CID 108947379) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
PubChem CID108947379
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide
SMILESCCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C20H24N2O4/c1-4-22(14-15-8-6-5-7-9-15)20(24)13-19(23)21-17-11-10-16(25-2)12-18(17)26-3/h5-12H,4,13-14H2,1-3H3,(H,21,23)
InChIKeyBUTRJTKQIAQLLM-UHFFFAOYSA-N
XLogP3.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide
CID 109022967
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid
CID 171154507
ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate
CID 42697513
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 8692437
1-benzyl-1-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)urea
CID 3325887
N'-benzyl-N-(2-bromo-4-methylphenyl)-N'-ethylpropanediamide
CID 108947405
2-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109258498
N-benzyl-N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(2,3-dioxoindol-1-yl)acetamide
CID 2717851
N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide
CID 109171538
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
1-benzyl-3-(2,4-dimethoxyphenyl)-1-(2-methylpropyl)thiourea
CID 4110555

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide?
The IUPAC name of N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide (CID 108947379) is N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide.
What is the SMILES notation for N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide?
The canonical SMILES for N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide is CCN(Cc1ccccc1)C(=O)CC(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide?
The InChIKey is BUTRJTKQIAQLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-22(14-15-8-6-5-7-9-15)20(24)13-19(23)21-17-11-10-16(25-2)12-18(17)26-3/h5-12H,4,13-14H2,1-3H3,(H,21,23).
What are the key properties of N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide?
N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide has a molecular weight of 356.42 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2,4-dimethoxyphenyl)-N'-ethylpropanediamide is sourced from PubChem (CID 108947379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).