3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide

C21H26N2O2 — CID 113125417

IUPAC3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide
SMILESCCc1ccc(N(CCC(=O)Nc2ccc(C)c(C)c2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O2/c1-5-18-7-10-20(11-8-18)23(17(4)24)13-12-21(25)22-19-9-6-15(2)16(3)14-19/h6-11,14H,5,12-13H2,1-4H3,(H,22,25)
InChIKeyFEWPQBBJFGJZLO-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.25
Rot. Bonds6

About 3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide

3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide (PubChem CID 113125417) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide
PubChem CID113125417
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide
SMILESCCc1ccc(N(CCC(=O)Nc2ccc(C)c(C)c2)C(C)=O)cc1
InChIInChI=1S/C21H26N2O2/c1-5-18-7-10-20(11-8-18)23(17(4)24)13-12-21(25)22-19-9-6-15(2)16(3)14-19/h6-11,14H,5,12-13H2,1-4H3,(H,22,25)
InChIKeyFEWPQBBJFGJZLO-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[N-acetyl-4-(diethylamino)anilino]-N-(3,4-dimethylphenyl)propanamide
CID 113131889
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
3-(N-acetyl-4-ethylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113125415
3-(N-acetyl-3,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124580
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
3-(N-acetyl-3,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124627
3-(N-acetyl-4-chloro-2-methylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113127886
2-(4-acetamido-N-acetylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113175959
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide (CID 113125417) is 3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide is CCc1ccc(N(CCC(=O)Nc2ccc(C)c(C)c2)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is FEWPQBBJFGJZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-5-18-7-10-20(11-8-18)23(17(4)24)13-12-21(25)22-19-9-6-15(2)16(3)14-19/h6-11,14H,5,12-13H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide?
3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 113125417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).