N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide

C21H27NO4 — CID 33002086

IUPACN-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCc2ccccc2OCC)c1
InChIInChI=1S/C21H27NO4/c1-4-24-17-12-13-20(26-6-3)18(15-17)22-21(23)14-11-16-9-7-8-10-19(16)25-5-2/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,22,23)
InChIKeyHGWROZRWOCCYDP-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.45
Rot. Bonds10

About N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide

N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide (PubChem CID 33002086) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
PubChem CID33002086
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)CCc2ccccc2OCC)c1
InChIInChI=1S/C21H27NO4/c1-4-24-17-12-13-20(26-6-3)18(15-17)22-21(23)14-11-16-9-7-8-10-19(16)25-5-2/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,22,23)
InChIKeyHGWROZRWOCCYDP-UHFFFAOYSA-N
XLogP4.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-diethoxyanilino)-4-oxobutanoic acid
CID 1133656
2-(2-chlorophenyl)-N-(2,5-diethoxyphenyl)acetamide
CID 26179955
N-(2,5-diethoxyphenyl)-4-phenoxybutanamide
CID 31526572
N-(2,5-diethoxyphenyl)-5-hydroxypentanamide
CID 79198989
N-(2-chloro-4-fluorophenyl)-3-(2-ethoxyphenyl)propanamide
CID 32990930
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-ethoxyphenyl)propanamide
CID 32999398
N-(2,5-diethoxyphenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 41295504
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684
N'-(2,5-dimethoxyphenyl)-N-[2-(2-ethoxyphenyl)ethyl]propanediamide
CID 50981444
N-(2,5-diethoxyphenyl)-2-methoxyacetamide
CID 34737899
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
CID 119318009
N-(2,5-diethoxyphenyl)-2-methylsulfanylacetamide
CID 33312505

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide (CID 33002086) is N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide is CCOc1ccc(OCC)c(NC(=O)CCc2ccccc2OCC)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide?
The InChIKey is HGWROZRWOCCYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-24-17-12-13-20(26-6-3)18(15-17)22-21(23)14-11-16-9-7-8-10-19(16)25-5-2/h7-10,12-13,15H,4-6,11,14H2,1-3H3,(H,22,23).
What are the key properties of N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide?
N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 33002086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).