3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide

C14H22N2O4 — CID 63061286

IUPAC3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
SMILESCOCCNCc1cc(OC)ccc1OCCC(N)=O
InChIInChI=1S/C14H22N2O4/c1-18-8-6-16-10-11-9-12(19-2)3-4-13(11)20-7-5-14(15)17/h3-4,9,16H,5-8,10H2,1-2H3,(H2,15,17)
InChIKeyMGYPEIYVGKPBKX-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.69
Rot. Bonds10

About 3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide

3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide (PubChem CID 63061286) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound Name3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
PubChem CID63061286
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
SMILESCOCCNCc1cc(OC)ccc1OCCC(N)=O
InChIInChI=1S/C14H22N2O4/c1-18-8-6-16-10-11-9-12(19-2)3-4-13(11)20-7-5-14(15)17/h3-4,9,16H,5-8,10H2,1-2H3,(H2,15,17)
InChIKeyMGYPEIYVGKPBKX-UHFFFAOYSA-N
XLogP0.69
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.69
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

3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
2-methoxy-N-[(5-methoxy-2-prop-2-enoxyphenyl)methyl]ethanamine
CID 63062163
2-methoxy-N-[[5-methoxy-2-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 63063528
5-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]pentanenitrile
CID 63063532
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 54935590
N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
CID 62325462
2-[2-(ethylaminomethyl)-4-methoxyphenoxy]-N-(2-methoxyethyl)acetamide
CID 61487646
3-[2-ethoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63058251
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63062845
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]ethanol
CID 63058855
methyl 2-[5-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63060282

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
The IUPAC name of 3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide (CID 63061286) is 3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for 3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
The canonical SMILES for 3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide is COCCNCc1cc(OC)ccc1OCCC(N)=O.
What is the InChIKey of 3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
The InChIKey is MGYPEIYVGKPBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-18-8-6-16-10-11-9-12(19-2)3-4-13(11)20-7-5-14(15)17/h3-4,9,16H,5-8,10H2,1-2H3,(H2,15,17).
What are the key properties of 3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide?
3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide has a molecular weight of 282.34 g/mol, XLogP of 0.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-[(2-methoxyethylamino)methyl]phenoxy]propanamide is sourced from PubChem (CID 63061286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).