3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide

C22H28N2O2 — CID 113125493

IUPAC3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCc1ccc(N(CCC(=O)N(CC)c2cccc(C)c2)C(C)=O)cc1
InChIInChI=1S/C22H28N2O2/c1-5-19-10-12-20(13-11-19)24(18(4)25)15-14-22(26)23(6-2)21-9-7-8-17(3)16-21/h7-13,16H,5-6,14-15H2,1-4H3
InChIKeyRASDBORHDYFPHJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.35
Rot. Bonds7

About 3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide

3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide (PubChem CID 113125493) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
PubChem CID113125493
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
SMILESCCc1ccc(N(CCC(=O)N(CC)c2cccc(C)c2)C(C)=O)cc1
InChIInChI=1S/C22H28N2O2/c1-5-19-10-12-20(13-11-19)24(18(4)25)15-14-22(26)23(6-2)21-9-7-8-17(3)16-21/h7-13,16H,5-6,14-15H2,1-4H3
InChIKeyRASDBORHDYFPHJ-UHFFFAOYSA-N
XLogP4.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-(N-acetyl-4-cyanoanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113135183
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 113133094
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
ethyl 2-[acetyl-[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113134647
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113134364
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113129365
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide (CID 113125493) is 3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide is CCc1ccc(N(CCC(=O)N(CC)c2cccc(C)c2)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
The InChIKey is RASDBORHDYFPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-19-10-12-20(13-11-19)24(18(4)25)15-14-22(26)23(6-2)21-9-7-8-17(3)16-21/h7-13,16H,5-6,14-15H2,1-4H3.
What are the key properties of 3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide?
3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-ethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 113125493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).