4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide

C13H20N2O3 — CID 63984622

IUPAC4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide
SMILESCNC(CCOc1cccc(COC)c1)C(N)=O
InChIInChI=1S/C13H20N2O3/c1-15-12(13(14)16)6-7-18-11-5-3-4-10(8-11)9-17-2/h3-5,8,12,15H,6-7,9H2,1-2H3,(H2,14,16)
InChIKeyQCZISTKJPOWVBV-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.68
Rot. Bonds8

About 4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide

4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide (PubChem CID 63984622) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide
PubChem CID63984622
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide
SMILESCNC(CCOc1cccc(COC)c1)C(N)=O
InChIInChI=1S/C13H20N2O3/c1-15-12(13(14)16)6-7-18-11-5-3-4-10(8-11)9-17-2/h3-5,8,12,15H,6-7,9H2,1-2H3,(H2,14,16)
InChIKeyQCZISTKJPOWVBV-UHFFFAOYSA-N
XLogP0.68
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63985791
4-[3-(methoxymethyl)phenoxy]-N-methylbutan-2-amine
CID 63986157
methyl (2R)-2-(methylamino)-4-phenoxybutanoate
CID 165124826
3-[3-(methoxymethyl)phenoxy]-1-phenylpropan-1-ol
CID 116693402
methyl 4-(3-fluorophenoxy)-2-(methylamino)butanoate
CID 63040092
4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide
CID 107170389
4-(3,5-dimethylphenoxy)-2-(methylamino)butanamide
CID 63040857
4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
CID 63040093
6-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)hexanoic acid
CID 63985201
3-[3-(methoxymethyl)phenoxy]-2-(methylamino)propan-1-ol
CID 64809319
5-[3-(methoxymethyl)phenoxy]-2,2-dimethylpentanoic acid
CID 65260124
methyl 4-[3-(methoxymethyl)phenoxy]-2-methyl-2-(methylamino)butanoate
CID 63984626

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide?
The IUPAC name of 4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide (CID 63984622) is 4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide.
What is the SMILES notation for 4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide?
The canonical SMILES for 4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide is CNC(CCOc1cccc(COC)c1)C(N)=O.
What is the InChIKey of 4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide?
The InChIKey is QCZISTKJPOWVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15-12(13(14)16)6-7-18-11-5-3-4-10(8-11)9-17-2/h3-5,8,12,15H,6-7,9H2,1-2H3,(H2,14,16).
What are the key properties of 4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide?
4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide has a molecular weight of 252.31 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)phenoxy]-2-(methylamino)butanamide is sourced from PubChem (CID 63984622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).