N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide

C15H23NO4 — CID 103877644

IUPACN-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
SMILESCOCC(O)CCNC(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C15H23NO4/c1-12-3-5-14(6-4-12)20-10-8-15(18)16-9-7-13(17)11-19-2/h3-6,13,17H,7-11H2,1-2H3,(H,16,18)
InChIKeyUWEMQLSXFVYPPY-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.28
Rot. Bonds9

About N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide

N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide (PubChem CID 103877644) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
PubChem CID103877644
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide
SMILESCOCC(O)CCNC(=O)CCOc1ccc(C)cc1
InChIInChI=1S/C15H23NO4/c1-12-3-5-14(6-4-12)20-10-8-15(18)16-9-7-13(17)11-19-2/h3-6,13,17H,7-11H2,1-2H3,(H,16,18)
InChIKeyUWEMQLSXFVYPPY-UHFFFAOYSA-N
XLogP1.28
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876915
N-(3-hydroxy-4-methoxybutyl)-3-phenoxypropanamide
CID 103876749
4-(4-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)butanamide
CID 103877004
3-(2,6-dimethylphenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877668
3-(3-bromophenoxy)-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103876884
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163
N-(3-bromo-4-methoxybutyl)-3-phenoxypropanamide
CID 114163410
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 103876701
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
CID 115612574

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide (CID 103877644) is N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide is COCC(O)CCNC(=O)CCOc1ccc(C)cc1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide?
The InChIKey is UWEMQLSXFVYPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-12-3-5-14(6-4-12)20-10-8-15(18)16-9-7-13(17)11-19-2/h3-6,13,17H,7-11H2,1-2H3,(H,16,18).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide?
N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide has a molecular weight of 281.35 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-3-(4-methylphenoxy)propanamide is sourced from PubChem (CID 103877644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).