2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide

C15H24N2O4 — CID 106235133

IUPAC2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide
SMILESCOCc1cc(C(C)NCCOCC(N)=O)ccc1OC
InChIInChI=1S/C15H24N2O4/c1-11(17-6-7-21-10-15(16)18)12-4-5-14(20-3)13(8-12)9-19-2/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H2,16,18)
InChIKeyVNOBYULIHVMMCY-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.99
Rot. Bonds10

About 2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide

2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide (PubChem CID 106235133) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide
PubChem CID106235133
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide
SMILESCOCc1cc(C(C)NCCOCC(N)=O)ccc1OC
InChIInChI=1S/C15H24N2O4/c1-11(17-6-7-21-10-15(16)18)12-4-5-14(20-3)13(8-12)9-19-2/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H2,16,18)
InChIKeyVNOBYULIHVMMCY-UHFFFAOYSA-N
XLogP0.99
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106236290
4-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]butan-2-ol
CID 64910692
3-ethoxy-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]propan-1-amine
CID 43514919
2-[2-[1-(3,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235235
2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide
CID 106235231
2-[2-[1-(2-methoxyphenyl)ethylamino]ethoxy]acetamide
CID 106235715
5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol
CID 103905531
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfinylpropan-1-amine
CID 115721031
N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]-3-methylsulfonylpropan-1-amine
CID 61020425
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894167
1-(3-bromo-4-methoxyphenyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 115894034
5-[1-(3,4-dimethoxyphenyl)ethylamino]pentanamide
CID 103529821

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide (CID 106235133) is 2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide is COCc1cc(C(C)NCCOCC(N)=O)ccc1OC.
What is the InChIKey of 2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide?
The InChIKey is VNOBYULIHVMMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(17-6-7-21-10-15(16)18)12-4-5-14(20-3)13(8-12)9-19-2/h4-5,8,11,17H,6-7,9-10H2,1-3H3,(H2,16,18).
What are the key properties of 2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide?
2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide has a molecular weight of 296.37 g/mol, XLogP of 0.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]ethoxy]acetamide is sourced from PubChem (CID 106235133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).