2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide

C16H25NO3 — CID 103861418

IUPAC2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCc1cccc(OCC(=O)NCCCC(C)CO)c1C
InChIInChI=1S/C16H25NO3/c1-12(10-18)6-5-9-17-16(19)11-20-15-8-4-7-13(2)14(15)3/h4,7-8,12,18H,5-6,9-11H2,1-3H3,(H,17,19)
InChIKeyZHELFMXOCQTOHM-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.21
Rot. Bonds8

About 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide

2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide (PubChem CID 103861418) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
PubChem CID103861418
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
SMILESCc1cccc(OCC(=O)NCCCC(C)CO)c1C
InChIInChI=1S/C16H25NO3/c1-12(10-18)6-5-9-17-16(19)11-20-15-8-4-7-13(2)14(15)3/h4,7-8,12,18H,5-6,9-11H2,1-3H3,(H,17,19)
InChIKeyZHELFMXOCQTOHM-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.21
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-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9300913
2-(2,4-dibromophenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862131
3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108572559
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide
CID 108538583
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
2-(3,4-dimethylphenoxy)-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541272
N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
CID 103862326
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725510
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 43357623
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid
CID 82845745
2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 91779093

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide (CID 103861418) is 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide is Cc1cccc(OCC(=O)NCCCC(C)CO)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide?
The InChIKey is ZHELFMXOCQTOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(10-18)6-5-9-17-16(19)11-20-15-8-4-7-13(2)14(15)3/h4,7-8,12,18H,5-6,9-11H2,1-3H3,(H,17,19).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide?
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 103861418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).