2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide

C15H23NO3 — CID 43326211

IUPAC2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide
SMILESCc1c(O)cccc1OC(C)C(=O)NCCC(C)C
InChIInChI=1S/C15H23NO3/c1-10(2)8-9-16-15(18)12(4)19-14-7-5-6-13(17)11(14)3/h5-7,10,12,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyKDFSCUCGYOGQHX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.63
Rot. Bonds6

About 2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide

2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide (PubChem CID 43326211) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide
PubChem CID43326211
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide
SMILESCc1c(O)cccc1OC(C)C(=O)NCCC(C)C
InChIInChI=1S/C15H23NO3/c1-10(2)8-9-16-15(18)12(4)19-14-7-5-6-13(17)11(14)3/h5-7,10,12,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyKDFSCUCGYOGQHX-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 60907832
2-[(2-chloro-3-pyridinyl)oxy]-N-(3-methylbutyl)propanamide
CID 65102583
N-ethyl-2-(2-hydroxyphenoxy)propanamide
CID 43143422
2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
CID 43143214
2-(2,5-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 115279930
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 39710056
(2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28571801
N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43876130
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 115956348
2-[3-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 43278240

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide (CID 43326211) is 2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide is Cc1c(O)cccc1OC(C)C(=O)NCCC(C)C.
What is the InChIKey of 2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide?
The InChIKey is KDFSCUCGYOGQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)8-9-16-15(18)12(4)19-14-7-5-6-13(17)11(14)3/h5-7,10,12,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide?
2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide has a molecular weight of 265.35 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylphenoxy)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 43326211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).