N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide

C18H21NO4 — CID 2187258

IUPACN-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H21NO4/c1-13-4-6-14(7-5-13)23-11-10-18(20)19-16-9-8-15(21-2)12-17(16)22-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyAZKVAXZECQEQFK-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.42
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide

N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide (PubChem CID 2187258) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide
PubChem CID2187258
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H21NO4/c1-13-4-6-14(7-5-13)23-11-10-18(20)19-16-9-8-15(21-2)12-17(16)22-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyAZKVAXZECQEQFK-UHFFFAOYSA-N
XLogP3.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide (CID 2187258) is N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide is COc1ccc(NC(=O)CCOc2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide?
The InChIKey is AZKVAXZECQEQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13-4-6-14(7-5-13)23-11-10-18(20)19-16-9-8-15(21-2)12-17(16)22-3/h4-9,12H,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide?
N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide has a molecular weight of 315.37 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 2187258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).