2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide

C15H22ClNO3 — CID 103933583

IUPAC2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C15H22ClNO3/c1-10-6-7-11(16)12(8-10)20-9-13(18)17-14(2,3)15(4,5)19/h6-8,19H,9H2,1-5H3,(H,17,18)
InChIKeyCDSOKJICCLZNSI-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.69
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide

2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide (PubChem CID 103933583) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
PubChem CID103933583
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
SMILESCc1ccc(Cl)c(OCC(=O)NC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C15H22ClNO3/c1-10-6-7-11(16)12(8-10)20-9-13(18)17-14(2,3)15(4,5)19/h6-8,19H,9H2,1-5H3,(H,17,18)
InChIKeyCDSOKJICCLZNSI-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 78770055
2-(2-chloro-5-methylphenoxy)-N-(2-methylpropyl)acetamide
CID 60623551
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856
2-(2-chloro-5-methylphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2677051
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
2-(2-chloro-5-methylphenoxy)-N-(2-chlorophenyl)acetamide
CID 2611371
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]butanoic acid
CID 43387304
2-(2-chloro-5-methylphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 7642767
2-(2-chloro-5-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726337
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65031935
2-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 46786994
2-(2-chloro-5-methylphenoxy)-N-(2-fluorophenyl)acetamide
CID 7642832

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide (CID 103933583) is 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide is Cc1ccc(Cl)c(OCC(=O)NC(C)(C)C(C)(C)O)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
The InChIKey is CDSOKJICCLZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10-6-7-11(16)12(8-10)20-9-13(18)17-14(2,3)15(4,5)19/h6-8,19H,9H2,1-5H3,(H,17,18).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide?
2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide has a molecular weight of 299.80 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide is sourced from PubChem (CID 103933583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).