2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide

C17H24ClNO3 — CID 78887844

IUPAC2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)COc1ccc(Cl)cc1C1CCCCC1
InChIInChI=1S/C17H24ClNO3/c1-12(20)10-19-17(21)11-22-16-8-7-14(18)9-15(16)13-5-3-2-4-6-13/h7-9,12-13,20H,2-6,10-11H2,1H3,(H,19,21)
InChIKeyOAKMPLCXYZGERT-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.26
Rot. Bonds6

About 2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide

2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide (PubChem CID 78887844) has the molecular formula C17H24ClNO3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide
PubChem CID78887844
Molecular FormulaC17H24ClNO3
Molecular Weight325.84 g/mol
Exact Mass325.14
IUPAC Name2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)COc1ccc(Cl)cc1C1CCCCC1
InChIInChI=1S/C17H24ClNO3/c1-12(20)10-19-17(21)11-22-16-8-7-14(18)9-15(16)13-5-3-2-4-6-13/h7-9,12-13,20H,2-6,10-11H2,1H3,(H,19,21)
InChIKeyOAKMPLCXYZGERT-UHFFFAOYSA-N
XLogP3.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-cyclohexylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4790141
2-(2,5-dichlorophenoxy)-N-(2-hydroxypropyl)acetamide
CID 43394146
2-(4-chloro-2-cyclohexylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 4789101
2-(4-chloro-2-cyclohexylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2117470
2-(4-chloro-2-cyclohexylphenoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 55775298
ethyl 2-(4-chloro-2-cycloheptylphenoxy)acetate
CID 11688175
3-[[2-(4-chloro-2-cyclohexylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 52556678
N-[2-(4-chloro-2-cyclohexylphenoxy)ethyl]propan-2-amine
CID 63517195
methyl 4-(4-chloro-2-cyclohexylphenoxy)butanoate
CID 43378258
N-[(2S)-2-hydroxypropyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 83030457
5-(4-chloro-2-cyclohexylphenoxy)pentanoic acid
CID 43351580
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide (CID 78887844) is 2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide is CC(O)CNC(=O)COc1ccc(Cl)cc1C1CCCCC1.
What is the InChIKey of 2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide?
The InChIKey is OAKMPLCXYZGERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3/c1-12(20)10-19-17(21)11-22-16-8-7-14(18)9-15(16)13-5-3-2-4-6-13/h7-9,12-13,20H,2-6,10-11H2,1H3,(H,19,21).
What are the key properties of 2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide?
2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide has a molecular weight of 325.84 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyclohexylphenoxy)-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 78887844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).