3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide

C21H26N2O2 — CID 113123957

IUPAC3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-22(16-19-8-6-5-7-9-19)21(25)14-15-23(18(3)24)20-12-10-17(2)11-13-20/h5-13H,4,14-16H2,1-3H3
InChIKeyUBXYEDFJMSAMKV-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.79
Rot. Bonds7

About 3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide

3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide (PubChem CID 113123957) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
PubChem CID113123957
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1ccc(C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-22(16-19-8-6-5-7-9-19)21(25)14-15-23(18(3)24)20-12-10-17(2)11-13-20/h5-13H,4,14-16H2,1-3H3
InChIKeyUBXYEDFJMSAMKV-UHFFFAOYSA-N
XLogP3.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-benzyl-N-ethylpropanamide
CID 113131962
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide
CID 113130656
3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide
CID 113125190
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
CID 113134868
methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate
CID 113131236
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide
CID 78782531
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
CID 113129400

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide?
The IUPAC name of 3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide (CID 113123957) is 3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide.
What is the SMILES notation for 3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide?
The canonical SMILES for 3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1ccc(C)cc1.
What is the InChIKey of 3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide?
The InChIKey is UBXYEDFJMSAMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-22(16-19-8-6-5-7-9-19)21(25)14-15-23(18(3)24)20-12-10-17(2)11-13-20/h5-13H,4,14-16H2,1-3H3.
What are the key properties of 3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide?
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.79, 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-methylanilino)-N-benzyl-N-ethylpropanamide is sourced from PubChem (CID 113123957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).