3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide

C22H28N2O2 — CID 113125190

IUPAC3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide
SMILESCCc1ccccc1N(CCC(=O)N(CC)Cc1ccccc1)C(C)=O
InChIInChI=1S/C22H28N2O2/c1-4-20-13-9-10-14-21(20)24(18(3)25)16-15-22(26)23(5-2)17-19-11-7-6-8-12-19/h6-14H,4-5,15-17H2,1-3H3
InChIKeyFLVUFBRRCJNKLQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.04
Rot. Bonds8

About 3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide

3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide (PubChem CID 113125190) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide
PubChem CID113125190
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide
SMILESCCc1ccccc1N(CCC(=O)N(CC)Cc1ccccc1)C(C)=O
InChIInChI=1S/C22H28N2O2/c1-4-20-13-9-10-14-21(20)24(18(3)25)16-15-22(26)23(5-2)17-19-11-7-6-8-12-19/h6-14H,4-5,15-17H2,1-3H3
InChIKeyFLVUFBRRCJNKLQ-UHFFFAOYSA-N
XLogP4.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
methyl 2-[acetyl-[3-[benzyl(ethyl)amino]-3-oxopropyl]amino]benzoate
CID 113131236
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
N-benzyl-3-(N,3-diacetylanilino)-N-ethylpropanamide
CID 113130656
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-benzyl-N-ethylpropanamide
CID 113131962
3-(N-acetyl-3-cyanoanilino)-N-benzyl-N-ethylpropanamide
CID 113134868
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
methyl 2-[acetyl-[2-[benzyl(ethyl)amino]-2-oxoethyl]amino]benzoate
CID 113176071

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide?
The IUPAC name of 3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide (CID 113125190) is 3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide?
The canonical SMILES for 3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide is CCc1ccccc1N(CCC(=O)N(CC)Cc1ccccc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide?
The InChIKey is FLVUFBRRCJNKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-20-13-9-10-14-21(20)24(18(3)25)16-15-22(26)23(5-2)17-19-11-7-6-8-12-19/h6-14H,4-5,15-17H2,1-3H3.
What are the key properties of 3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide?
3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-ethylanilino)-N-benzyl-N-ethylpropanamide is sourced from PubChem (CID 113125190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).