N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide

C20H24N2O4 — CID 108956025

IUPACN-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)CC(=O)Nc1ccc(OC)c(OC)c1)c1cccc(C)c1
InChIInChI=1S/C20H24N2O4/c1-5-22(16-8-6-7-14(2)11-16)20(24)13-19(23)21-15-9-10-17(25-3)18(12-15)26-4/h6-12H,5,13H2,1-4H3,(H,21,23)
InChIKeySBWWGPNNEOEIGY-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.39
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide

N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide (PubChem CID 108956025) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
PubChem CID108956025
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
SMILESCCN(C(=O)CC(=O)Nc1ccc(OC)c(OC)c1)c1cccc(C)c1
InChIInChI=1S/C20H24N2O4/c1-5-22(16-8-6-7-14(2)11-16)20(24)13-19(23)21-15-9-10-17(25-3)18(12-15)26-4/h6-12H,5,13H2,1-4H3,(H,21,23)
InChIKeySBWWGPNNEOEIGY-UHFFFAOYSA-N
XLogP3.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.39
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-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109040578
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409
N-(2,4-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide
CID 108953533
N-ethyl-2-(2-methoxy-5-methylanilino)-N-(3-methylphenyl)acetamide
CID 109009248
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-(diethylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 11521836
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109269982
2-(3,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109318089
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318103
1-ethyl-3-(3-methoxyphenyl)-1-(3-methylphenyl)urea
CID 108869177
N'-ethyl-N'-(3-methylphenyl)-N-(2-propan-2-ylphenyl)propanediamide
CID 108954333

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide (CID 108956025) is N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide is CCN(C(=O)CC(=O)Nc1ccc(OC)c(OC)c1)c1cccc(C)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide?
The InChIKey is SBWWGPNNEOEIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-22(16-8-6-7-14(2)11-16)20(24)13-19(23)21-15-9-10-17(25-3)18(12-15)26-4/h6-12H,5,13H2,1-4H3,(H,21,23).
What are the key properties of N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide?
N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide has a molecular weight of 356.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N'-ethyl-N'-(3-methylphenyl)propanediamide is sourced from PubChem (CID 108956025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).