N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide

C18H20N2O4 — CID 108953194

IUPACN-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide
SMILESCOc1ccc(OC)c(NC(=O)CC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O4/c1-20(13-7-5-4-6-8-13)18(22)12-17(21)19-15-11-14(23-2)9-10-16(15)24-3/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyRIZBWJZLJGQLEU-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.70
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide

N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide (PubChem CID 108953194) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide
PubChem CID108953194
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide
SMILESCOc1ccc(OC)c(NC(=O)CC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O4/c1-20(13-7-5-4-6-8-13)18(22)12-17(21)19-15-11-14(23-2)9-10-16(15)24-3/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeyRIZBWJZLJGQLEU-UHFFFAOYSA-N
XLogP2.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.70
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,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
1-N-(2,5-dimethoxyphenyl)-1-N'-methyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108980986
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
4-[[2-(2,5-dimethoxyanilino)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54814112
2-(diethylamino)-N-(2,5-dimethoxyphenyl)acetamide
CID 11666162
2-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 8010854
N-(2,5-dimethoxyphenyl)-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1098083
2,5-dimethoxy-N-methyl-N-phenylbenzamide
CID 16849123
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2,5-dimethoxyphenyl)-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109266003
N'-(2,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943905
3-amino-N-(2,5-dimethoxyphenyl)-3-phenylpropanamide
CID 43822665

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide (CID 108953194) is N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide is COc1ccc(OC)c(NC(=O)CC(=O)N(C)c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide?
The InChIKey is RIZBWJZLJGQLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-20(13-7-5-4-6-8-13)18(22)12-17(21)19-15-11-14(23-2)9-10-16(15)24-3/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide?
N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide has a molecular weight of 328.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide is sourced from PubChem (CID 108953194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).