N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide

C20H26N2O3 — CID 108998980

IUPACN-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CNCCOc1ccc(OC)cc1
InChIInChI=1S/C20H26N2O3/c1-3-22(16-17-7-5-4-6-8-17)20(23)15-21-13-14-25-19-11-9-18(24-2)10-12-19/h4-12,21H,3,13-16H2,1-2H3
InChIKeyLOVKYMBRHJHLLS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.71
Rot. Bonds10

About N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide

N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide (PubChem CID 108998980) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
PubChem CID108998980
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
SMILESCCN(Cc1ccccc1)C(=O)CNCCOc1ccc(OC)cc1
InChIInChI=1S/C20H26N2O3/c1-3-22(16-17-7-5-4-6-8-17)20(23)15-21-13-14-25-19-11-9-18(24-2)10-12-19/h4-12,21H,3,13-16H2,1-2H3
InChIKeyLOVKYMBRHJHLLS-UHFFFAOYSA-N
XLogP2.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
1-benzyl-1-ethyl-3-(2-phenoxyethyl)urea
CID 108887045
N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-(2-methoxyethylamino)acetamide
CID 119750917
N-benzyl-N-ethyl-2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111004820
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-ethylacetamide
CID 108994441
N-benzyl-N-(2-methoxyethyl)-2-(2-methoxyethylamino)acetamide
CID 78914153
2-[[2-[ethyl-[(4-phenylmethoxyphenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772652
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide
CID 108998963
N-benzyl-2-(2-methoxyethylamino)-N-propylacetamide;hydrochloride
CID 119681638
N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
N-benzyl-N-ethyl-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998287
2-(tert-butylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 112727502

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide (CID 108998980) is N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide is CCN(Cc1ccccc1)C(=O)CNCCOc1ccc(OC)cc1.
What is the InChIKey of N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide?
The InChIKey is LOVKYMBRHJHLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-22(16-17-7-5-4-6-8-17)20(23)15-21-13-14-25-19-11-9-18(24-2)10-12-19/h4-12,21H,3,13-16H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide?
N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide is sourced from PubChem (CID 108998980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).