2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide

C15H22ClNO3 — CID 103712881

IUPAC2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide
SMILESCCCC(C)(O)CNC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C15H22ClNO3/c1-4-7-15(3,19)10-17-14(18)9-20-13-6-5-12(16)8-11(13)2/h5-6,8,19H,4,7,9-10H2,1-3H3,(H,17,18)
InChIKeyWAIOBXZJXUVAIV-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.69
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide (PubChem CID 103712881) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide
PubChem CID103712881
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide
SMILESCCCC(C)(O)CNC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C15H22ClNO3/c1-4-7-15(3,19)10-17-14(18)9-20-13-6-5-12(16)8-11(13)2/h5-6,8,19H,4,7,9-10H2,1-3H3,(H,17,18)
InChIKeyWAIOBXZJXUVAIV-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 103839500
2-(2-bromo-4-chlorophenoxy)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114245
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115869894
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
2-(4-chloro-2-methylphenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504547
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
2-[2-[(2-hydroxy-2-methylpentyl)amino]-2-oxoethoxy]benzamide
CID 106289602
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide (CID 103712881) is 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide is CCCC(C)(O)CNC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide?
The InChIKey is WAIOBXZJXUVAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-4-7-15(3,19)10-17-14(18)9-20-13-6-5-12(16)8-11(13)2/h5-6,8,19H,4,7,9-10H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide has a molecular weight of 299.80 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpentyl)acetamide is sourced from PubChem (CID 103712881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).