3-[acetyl(benzyl)amino]-N,N-diethylpropanamide

C16H24N2O2 — CID 113118249

IUPAC3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(Cc1ccccc1)C(C)=O
InChIInChI=1S/C16H24N2O2/c1-4-17(5-2)16(20)11-12-18(14(3)19)13-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3
InChIKeyVJGUAHABWJGQRL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds7

About 3-[acetyl(benzyl)amino]-N,N-diethylpropanamide

3-[acetyl(benzyl)amino]-N,N-diethylpropanamide (PubChem CID 113118249) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
PubChem CID113118249
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(Cc1ccccc1)C(C)=O
InChIInChI=1S/C16H24N2O2/c1-4-17(5-2)16(20)11-12-18(14(3)19)13-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3
InChIKeyVJGUAHABWJGQRL-UHFFFAOYSA-N
XLogP2.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide
CID 113125190
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
3-[3-[acetyl(benzyl)amino]propanoyl-methylamino]propanoic acid
CID 119232553
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
3-(N-benzylanilino)-N,N-diethylpropanamide
CID 109030661
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[acetyl(benzyl)amino]-N,N-diethylpropanamide (CID 113118249) is 3-[acetyl(benzyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCN(Cc1ccccc1)C(C)=O.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N,N-diethylpropanamide?
The InChIKey is VJGUAHABWJGQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-17(5-2)16(20)11-12-18(14(3)19)13-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3.
What are the key properties of 3-[acetyl(benzyl)amino]-N,N-diethylpropanamide?
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 113118249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).