2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide

C16H25NO3 — CID 103919351

IUPAC2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCCCCCCO)c1
InChIInChI=1S/C16H25NO3/c1-13-9-14(2)11-15(10-13)20-12-16(19)17-7-5-3-4-6-8-18/h9-11,18H,3-8,12H2,1-2H3,(H,17,19)
InChIKeyNVRXTIUWGYNBNY-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.35
Rot. Bonds9

About 2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide

2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide (PubChem CID 103919351) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
PubChem CID103919351
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)NCCCCCCO)c1
InChIInChI=1S/C16H25NO3/c1-13-9-14(2)11-15(10-13)20-12-16(19)17-7-5-3-4-6-8-18/h9-11,18H,3-8,12H2,1-2H3,(H,17,19)
InChIKeyNVRXTIUWGYNBNY-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 60624673
2-(4-bromophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107319029
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-(3,5-dimethylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628333
N-hexadecyl-2-(3-methylphenoxy)acetamide
CID 3324097
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3-hydroxypropyl)urea
CID 110904066
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
N-(2-tert-butylsulfanylethyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21367691
2-(4-chloro-3,5-dimethylphenoxy)-N-hexadecylacetamide
CID 3539927
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide
CID 110834191

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide (CID 103919351) is 2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide is Cc1cc(C)cc(OCC(=O)NCCCCCCO)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide?
The InChIKey is NVRXTIUWGYNBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13-9-14(2)11-15(10-13)20-12-16(19)17-7-5-3-4-6-8-18/h9-11,18H,3-8,12H2,1-2H3,(H,17,19).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide?
2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(6-hydroxyhexyl)acetamide is sourced from PubChem (CID 103919351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).