2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide

C15H23NO3 — CID 61486616

IUPAC2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccccc1C(C)O
InChIInChI=1S/C15H23NO3/c1-11(2)8-9-16-15(18)10-19-14-7-5-4-6-13(14)12(3)17/h4-7,11-12,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyXIDMYIUSZQQJOZ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.28
Rot. Bonds7

About 2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide

2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide (PubChem CID 61486616) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
PubChem CID61486616
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1ccccc1C(C)O
InChIInChI=1S/C15H23NO3/c1-11(2)8-9-16-15(18)10-19-14-7-5-4-6-13(14)12(3)17/h4-7,11-12,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyXIDMYIUSZQQJOZ-UHFFFAOYSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63364835
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
N-ethyl-2-[2-(1-hydroxyethyl)phenoxy]acetamide
CID 43504037
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63365838
N-benzyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78933839
2-[2-(3-methylbutylamino)-2-oxoethoxy]benzoic acid
CID 43214287
2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
CID 107832254
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-propan-2-ylacetamide
CID 78931532
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide (CID 61486616) is 2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1ccccc1C(C)O.
What is the InChIKey of 2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide?
The InChIKey is XIDMYIUSZQQJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)8-9-16-15(18)10-19-14-7-5-4-6-13(14)12(3)17/h4-7,11-12,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide?
2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide has a molecular weight of 265.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 61486616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).