N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide

C21H28N2O3 — CID 108998963

IUPACN-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CNCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H28N2O3/c1-4-23(16-18-8-6-5-7-9-18)21(24)15-22-13-12-17-10-11-19(25-2)20(14-17)26-3/h5-11,14,22H,4,12-13,15-16H2,1-3H3
InChIKeyOPHJWBUAQHOHQT-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.88
Rot. Bonds10

About N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide

N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide (PubChem CID 108998963) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide
PubChem CID108998963
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)CNCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C21H28N2O3/c1-4-23(16-18-8-6-5-7-9-18)21(24)15-22-13-12-17-10-11-19(25-2)20(14-17)26-3/h5-11,14,22H,4,12-13,15-16H2,1-3H3
InChIKeyOPHJWBUAQHOHQT-UHFFFAOYSA-N
XLogP2.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.88
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-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methylacetamide
CID 108997410
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
CID 113165331
N-benzyl-N-ethyl-2-(propylamino)acetamide
CID 60687302
N-benzyl-N-ethyl-2-[[N-[2-(3-methoxy-4-methylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111588856
N-benzyl-N-ethyl-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998287
N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 108998980
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-ethylacetamide
CID 108994441
1-benzyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 16573334
N-benzyl-N-ethyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109022877
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-methoxyphenyl)ethanone
CID 70619100
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide (CID 108998963) is N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)CNCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide?
The InChIKey is OPHJWBUAQHOHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-23(16-18-8-6-5-7-9-18)21(24)15-22-13-12-17-10-11-19(25-2)20(14-17)26-3/h5-11,14,22H,4,12-13,15-16H2,1-3H3.
What are the key properties of N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide?
N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide has a molecular weight of 356.47 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-ethylacetamide is sourced from PubChem (CID 108998963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).