3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide

C20H26N2O3 — CID 109019458

IUPAC3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccc(OCCNCCC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-16-4-3-5-17(14-16)15-22-20(23)10-11-21-12-13-25-19-8-6-18(24-2)7-9-19/h3-9,14,21H,10-13,15H2,1-2H3,(H,22,23)
InChIKeyJCDWHPIYDYLJOO-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.68
Rot. Bonds10

About 3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide

3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 109019458) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide
PubChem CID109019458
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide
SMILESCOc1ccc(OCCNCCC(=O)NCc2cccc(C)c2)cc1
InChIInChI=1S/C20H26N2O3/c1-16-4-3-5-17(14-16)15-22-20(23)10-11-21-12-13-25-19-8-6-18(24-2)7-9-19/h3-9,14,21H,10-13,15H2,1-2H3,(H,22,23)
InChIKeyJCDWHPIYDYLJOO-UHFFFAOYSA-N
XLogP2.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methylphenyl)propanamide
CID 109031103
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109021354
3-[(2-methoxyphenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019419
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997186
N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
CID 109012751
5-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280259
N-[(2-methoxyphenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019582
3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113144695
3-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 109019416

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide (CID 109019458) is 3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide is COc1ccc(OCCNCCC(=O)NCc2cccc(C)c2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is JCDWHPIYDYLJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-16-4-3-5-17(14-16)15-22-20(23)10-11-21-12-13-25-19-8-6-18(24-2)7-9-19/h3-9,14,21H,10-13,15H2,1-2H3,(H,22,23).
What are the key properties of 3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide?
3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenoxy)ethylamino]-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 109019458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).