2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

C17H27NO3 — CID 106352989

IUPAC2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCc1cccc(OCC(=O)NC(CCO)C(C)(C)C)c1C
InChIInChI=1S/C17H27NO3/c1-12-7-6-8-14(13(12)2)21-11-16(20)18-15(9-10-19)17(3,4)5/h6-8,15,19H,9-11H2,1-5H3,(H,18,20)
InChIKeyMWZIWEBTYUWZHI-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.60
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide

2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (PubChem CID 106352989) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
PubChem CID106352989
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
SMILESCc1cccc(OCC(=O)NC(CCO)C(C)(C)C)c1C
InChIInChI=1S/C17H27NO3/c1-12-7-6-8-14(13(12)2)21-11-16(20)18-15(9-10-19)17(3,4)5/h6-8,15,19H,9-11H2,1-5H3,(H,18,20)
InChIKeyMWZIWEBTYUWZHI-UHFFFAOYSA-N
XLogP2.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(2,6-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103941067
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoic acid
CID 9156872
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(3-methylphenoxy)acetamide
CID 103940933
2-(2,3-dimethylphenoxy)-N-pentan-2-ylacetamide
CID 50945244
2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115968921
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 43357623
N-[(2R)-butan-2-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 728123
2-(3-bromophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 103940873
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoate
CID 9156871
2-(2,3-dimethylphenoxy)-N-[2-(2-hydroxyethyl)pentyl]acetamide
CID 103725510
2-(2,3-dimethylphenoxy)-N-(1-phenylethyl)acetamide
CID 19172570
5-[[2-(2,3-dimethylphenoxy)acetyl]amino]hexanoic acid
CID 82845745

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide (CID 106352989) is 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is Cc1cccc(OCC(=O)NC(CCO)C(C)(C)C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
The InChIKey is MWZIWEBTYUWZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12-7-6-8-14(13(12)2)21-11-16(20)18-15(9-10-19)17(3,4)5/h6-8,15,19H,9-11H2,1-5H3,(H,18,20).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide?
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 2.60, 6 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-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide is sourced from PubChem (CID 106352989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).