3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide

C21H26N2O5 — CID 113130157

IUPAC3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)c1ccc(OC)cc1OC
InChIInChI=1S/C21H26N2O5/c1-5-28-19-9-7-6-8-17(19)22-21(25)12-13-23(15(2)24)18-11-10-16(26-3)14-20(18)27-4/h6-11,14H,5,12-13H2,1-4H3,(H,22,25)
InChIKeyZPCYGZIRRYGMAV-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.48
Rot. Bonds9

About 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide

3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide (PubChem CID 113130157) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
PubChem CID113130157
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)CCN(C(C)=O)c1ccc(OC)cc1OC
InChIInChI=1S/C21H26N2O5/c1-5-28-19-9-7-6-8-17(19)22-21(25)12-13-23(15(2)24)18-11-10-16(26-3)14-20(18)27-4/h6-11,14H,5,12-13H2,1-4H3,(H,22,25)
InChIKeyZPCYGZIRRYGMAV-UHFFFAOYSA-N
XLogP3.48
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-acetyl-2-methoxyanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113128824
3-(N-acetyl-2-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129327
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113130137
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-fluorophenyl)propanamide
CID 113130144
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113129639
3-(N-acetyl-2-methoxyanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113128823
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2-ethoxyphenyl)acetamide
CID 113174616
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113130127
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-(N-acetyl-2,4-dimethoxyanilino)-N-benzylpropanamide
CID 113130084
3-(N-acetyl-3,5-dichloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 113134137

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide (CID 113130157) is 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)CCN(C(C)=O)c1ccc(OC)cc1OC.
What is the InChIKey of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide?
The InChIKey is ZPCYGZIRRYGMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-5-28-19-9-7-6-8-17(19)22-21(25)12-13-23(15(2)24)18-11-10-16(26-3)14-20(18)27-4/h6-11,14H,5,12-13H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide?
3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide has a molecular weight of 386.45 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 113130157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).