2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide

C15H23NO4 — CID 43267928

IUPAC2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCC(C)C)c(CO)c1
InChIInChI=1S/C15H23NO4/c1-10(2)8-16-15(18)11(3)20-14-6-5-13(19-4)7-12(14)9-17/h5-7,10-11,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyLUQKPGLNJPAXSO-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.73
Rot. Bonds7

About 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide

2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 43267928) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
PubChem CID43267928
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
SMILESCOc1ccc(OC(C)C(=O)NCC(C)C)c(CO)c1
InChIInChI=1S/C15H23NO4/c1-10(2)8-16-15(18)11(3)20-14-6-5-13(19-4)7-12(14)9-17/h5-7,10-11,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyLUQKPGLNJPAXSO-UHFFFAOYSA-N
XLogP1.73
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 43267929
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 61270005
(2R)-2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methylpropyl)propanamide
CID 8949326
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
CID 61267766
2-(2-formyl-5-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 61269972
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 61267389
N-ethyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]propanamide
CID 43276266
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide
CID 61267387
methyl 2-[4-methoxy-2-[(2-methylpropylamino)methyl]phenoxy]propanoate
CID 63062325
2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 60907071
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 107690685
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide (CID 43267928) is 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide is COc1ccc(OC(C)C(=O)NCC(C)C)c(CO)c1.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is LUQKPGLNJPAXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-10(2)8-16-15(18)11(3)20-14-6-5-13(19-4)7-12(14)9-17/h5-7,10-11,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide?
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 281.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43267928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).