2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide

C17H27NO3 — CID 103899529

IUPAC2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCc1cccc(OCC(=O)NCC(C)(C)CCCO)c1C
InChIInChI=1S/C17H27NO3/c1-13-7-5-8-15(14(13)2)21-11-16(20)18-12-17(3,4)9-6-10-19/h5,7-8,19H,6,9-12H2,1-4H3,(H,18,20)
InChIKeyYKOBRSVROKCVMD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.60
Rot. Bonds8

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

2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide (PubChem CID 103899529) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
PubChem CID103899529
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
SMILESCc1cccc(OCC(=O)NCC(C)(C)CCCO)c1C
InChIInChI=1S/C17H27NO3/c1-13-7-5-8-15(14(13)2)21-11-16(20)18-12-17(3,4)9-6-10-19/h5,7-8,19H,6,9-12H2,1-4H3,(H,18,20)
InChIKeyYKOBRSVROKCVMD-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115968921
2-(4-chlorophenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899485
3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108572559
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106352989
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861418
2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid
CID 66174192
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9300913
2-(2,3-dimethylphenoxy)-N-methoxyacetamide
CID 60717689
2-(2,3-dimethylphenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716344
2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725510
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide (CID 103899529) is 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide is Cc1cccc(OCC(=O)NCC(C)(C)CCCO)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
The InChIKey is YKOBRSVROKCVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13-7-5-8-15(14(13)2)21-11-16(20)18-12-17(3,4)9-6-10-19/h5,7-8,19H,6,9-12H2,1-4H3,(H,18,20).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide?
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.60, 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-2,2-dimethylpentyl)acetamide is sourced from PubChem (CID 103899529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).