2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide

C12H17NO4 — CID 175850225

IUPAC2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide
SMILESCCC(Oc1ccc(CO)c(OC)c1)C(N)=O
InChIInChI=1S/C12H17NO4/c1-3-10(12(13)15)17-9-5-4-8(7-14)11(6-9)16-2/h4-6,10,14H,3,7H2,1-2H3,(H2,13,15)
InChIKeyFFXLIABUTOVNOD-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.83
Rot. Bonds6

About 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide

2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide (PubChem CID 175850225) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide
PubChem CID175850225
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide
SMILESCCC(Oc1ccc(CO)c(OC)c1)C(N)=O
InChIInChI=1S/C12H17NO4/c1-3-10(12(13)15)17-9-5-4-8(7-14)11(6-9)16-2/h4-6,10,14H,3,7H2,1-2H3,(H2,13,15)
InChIKeyFFXLIABUTOVNOD-UHFFFAOYSA-N
XLogP0.83
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid
CID 1268135
2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanoic acid;N-methyl-1,1-diphenylmethanamine
CID 66992280
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
2-[5-methoxy-2-(propylaminomethyl)phenoxy]butanamide
CID 62901536
2-(4-methylphenoxy)butanamide
CID 4980758
2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanamide
CID 62901575
2-(1,3-benzodioxol-5-yloxy)butanamide
CID 62901253
2-(4-ethoxyphenoxy)butanamide
CID 62901060
2-[5-methoxy-2-[1-(methylamino)ethyl]phenoxy]butanamide
CID 82000489
2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62899630
2-[2-fluoro-6-(hydroxymethyl)phenoxy]butanamide
CID 112613193
2-(3-aminophenoxy)butanamide
CID 62901524

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide?
The IUPAC name of 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide (CID 175850225) is 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide?
The canonical SMILES for 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide is CCC(Oc1ccc(CO)c(OC)c1)C(N)=O.
What is the InChIKey of 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide?
The InChIKey is FFXLIABUTOVNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-10(12(13)15)17-9-5-4-8(7-14)11(6-9)16-2/h4-6,10,14H,3,7H2,1-2H3,(H2,13,15).
What are the key properties of 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide?
2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide has a molecular weight of 239.27 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-3-methoxyphenoxy]butanamide is sourced from PubChem (CID 175850225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).