N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide

C22H26N2O3 — CID 113130656

IUPACN-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C22H26N2O3/c1-4-23(16-19-9-6-5-7-10-19)22(27)13-14-24(18(3)26)21-12-8-11-20(15-21)17(2)25/h5-12,15H,4,13-14,16H2,1-3H3
InChIKeyZJSOMGQEUHGWPU-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.68
Rot. Bonds8

About N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide

N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide (PubChem CID 113130656) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide
PubChem CID113130656
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C22H26N2O3/c1-4-23(16-19-9-6-5-7-10-19)22(27)13-14-24(18(3)26)21-12-8-11-20(15-21)17(2)25/h5-12,15H,4,13-14,16H2,1-3H3
InChIKeyZJSOMGQEUHGWPU-UHFFFAOYSA-N
XLogP3.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
CID 113134868
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
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-4-pyrrolidin-1-ylanilino)-N-benzyl-N-ethylpropanamide
CID 113131962
methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate
CID 113131236
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
3-(N-benzylanilino)-N,N-diethylpropanamide
CID 109030661
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N,N'-dibenzyl-N-ethyl-N'-phenylpropanediamide
CID 108947400
N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061592

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide?
The IUPAC name of N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide (CID 113130656) is N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide.
What is the SMILES notation for N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide?
The canonical SMILES for N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCN(C(C)=O)c1cccc(C(C)=O)c1.
What is the InChIKey of N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide?
The InChIKey is ZJSOMGQEUHGWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-4-23(16-19-9-6-5-7-10-19)22(27)13-14-24(18(3)26)21-12-8-11-20(15-21)17(2)25/h5-12,15H,4,13-14,16H2,1-3H3.
What are the key properties of N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide?
N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide has a molecular weight of 366.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide is sourced from PubChem (CID 113130656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).