N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide

C15H23NO4 — CID 66109025

IUPACN-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NCC(C)CCO)cc1
InChIInChI=1S/C15H23NO4/c1-12(7-9-17)11-16-15(18)8-10-20-14-5-3-13(19-2)4-6-14/h3-6,12,17H,7-11H2,1-2H3,(H,16,18)
InChIKeyZKPXITSKXZEYKQ-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.60
Rot. Bonds9

About N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide

N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide (PubChem CID 66109025) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide
PubChem CID66109025
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NCC(C)CCO)cc1
InChIInChI=1S/C15H23NO4/c1-12(7-9-17)11-16-15(18)8-10-20-14-5-3-13(19-2)4-6-14/h3-6,12,17H,7-11H2,1-2H3,(H,16,18)
InChIKeyZKPXITSKXZEYKQ-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66089630
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenyl)propanamide
CID 66106188
methyl 2-hydroxy-3-[3-(4-methoxyphenoxy)propanoylamino]propanoate
CID 103957989
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107764
N-(4-hydroxy-2-methylbutyl)-4-(3-methylphenoxy)butanamide
CID 66107103
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
N-(2-ethylhexyl)-4-(4-methoxyphenoxy)butanamide
CID 2791782
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106113357
N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875
1-(4-hydroxy-2-methylbutyl)-3-[4-(3-methylbutoxy)phenyl]urea
CID 111521334

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide (CID 66109025) is N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)NCC(C)CCO)cc1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide?
The InChIKey is ZKPXITSKXZEYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-12(7-9-17)11-16-15(18)8-10-20-14-5-3-13(19-2)4-6-14/h3-6,12,17H,7-11H2,1-2H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide?
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide has a molecular weight of 281.35 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 66109025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).