3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide

C21H26N2O3 — CID 113129456

IUPAC3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
SMILESCCOc1ccc(N(CCC(=O)Nc2ccccc2CC)C(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-4-17-8-6-7-9-20(17)22-21(25)14-15-23(16(3)24)18-10-12-19(13-11-18)26-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeyYPKARTOUTPOVSN-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.03
Rot. Bonds8

About 3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide

3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide (PubChem CID 113129456) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
PubChem CID113129456
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
SMILESCCOc1ccc(N(CCC(=O)Nc2ccccc2CC)C(C)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-4-17-8-6-7-9-20(17)22-21(25)14-15-23(16(3)24)18-10-12-19(13-11-18)26-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)
InChIKeyYPKARTOUTPOVSN-UHFFFAOYSA-N
XLogP4.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-ethoxyanilino)-N-(2,3-dichlorophenyl)propanamide
CID 113129516
3-(N-acetyl-4-ethoxyanilino)-N-quinolin-8-ylpropanamide
CID 113129507
3-(N-acetyl-4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113129401
3-(N-acetyl-4-ethoxyanilino)-N-benzylpropanamide
CID 113129395
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212
3-(N-acetyl-4-propan-2-ylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113125924
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926
3-(N-acetyl-4-phenoxyanilino)-N-(2-methylphenyl)propanamide
CID 113132296
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
ethyl 2-[3-(N-acetyl-4-ethylanilino)propanoylamino]benzoate
CID 113125489
ethyl 2-[acetyl-[3-(2-ethylanilino)-3-oxopropyl]amino]benzoate
CID 113134619
3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
CID 113127100

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide (CID 113129456) is 3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide is CCOc1ccc(N(CCC(=O)Nc2ccccc2CC)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide?
The InChIKey is YPKARTOUTPOVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-17-8-6-7-9-20(17)22-21(25)14-15-23(16(3)24)18-10-12-19(13-11-18)26-5-2/h6-13H,4-5,14-15H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide?
3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 113129456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).