2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide

C15H23NO3 — CID 112612258

IUPAC2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cccc(CO)c1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C15H23NO3/c1-10(2)12(4)16-14(18)9-19-15-11(3)6-5-7-13(15)8-17/h5-7,10,12,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyNWRJQALFSGCUNG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.03
Rot. Bonds6

About 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide

2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 112612258) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
PubChem CID112612258
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
SMILESCc1cccc(CO)c1OCC(=O)NC(C)C(C)C
InChIInChI=1S/C15H23NO3/c1-10(2)12(4)16-14(18)9-19-15-11(3)6-5-7-13(15)8-17/h5-7,10,12,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyNWRJQALFSGCUNG-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115957680
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 112612569
2-[2-(hydroxymethyl)phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 60773074
2-(2,6-dimethylphenoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 79247450
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide
CID 22970380
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylphenyl)acetamide
CID 115956208
2-(2,6-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941067
2-[2-(hydroxymethyl)-4-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 55206471
2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide
CID 112612351
methyl (2R)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 40938621
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115958397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide (CID 112612258) is 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide is Cc1cccc(CO)c1OCC(=O)NC(C)C(C)C.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is NWRJQALFSGCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)12(4)16-14(18)9-19-15-11(3)6-5-7-13(15)8-17/h5-7,10,12,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide?
2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 265.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 112612258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).