N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide

C20H24N2O2 — CID 562449

IUPACN-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
SMILESCC(=O)N(CCN(Cc1ccccc1)C(C)=O)Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-17(23)21(15-19-9-5-3-6-10-19)13-14-22(18(2)24)16-20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3
InChIKeyCVJSMOWGAPMAND-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.08
Rot. Bonds7

About N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide

N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide (PubChem CID 562449) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide.

Molecular Properties

Compound NameN-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
PubChem CID562449
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
SMILESCC(=O)N(CCN(Cc1ccccc1)C(C)=O)Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-17(23)21(15-19-9-5-3-6-10-19)13-14-22(18(2)24)16-20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3
InChIKeyCVJSMOWGAPMAND-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[acetyl(benzyl)amino]butanoic acid
CID 92930357
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
N-benzyl-N-(5-oxopentyl)acetamide
CID 11586698
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
N-benzyl-N-phenacylacetamide
CID 10587901
3-[3-[acetyl(benzyl)amino]propanoyl-methylamino]propanoic acid
CID 119232553
N-benzyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113054043
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746
lithium N,N-dibenzylcarbamoselenoate
CID 102135348
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
3-[acetyl(benzyl)amino]-N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884500

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide?
The IUPAC name of N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide (CID 562449) is N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide.
What is the SMILES notation for N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide?
The canonical SMILES for N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide is CC(=O)N(CCN(Cc1ccccc1)C(C)=O)Cc1ccccc1.
What is the InChIKey of N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide?
The InChIKey is CVJSMOWGAPMAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-17(23)21(15-19-9-5-3-6-10-19)13-14-22(18(2)24)16-20-11-7-4-8-12-20/h3-12H,13-16H2,1-2H3.
What are the key properties of N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide?
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide has a molecular weight of 324.42 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide is sourced from PubChem (CID 562449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).