2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide

C16H23NO3 — CID 104957304

IUPAC2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2O)cc1C
InChIInChI=1S/C16H23NO3/c1-11-7-8-13(9-12(11)2)20-10-16(19)17-14-5-3-4-6-15(14)18/h7-9,14-15,18H,3-6,10H2,1-2H3,(H,17,19)/t14-,15-/m0/s1
InChIKeyJWPBWKIFTSZAIO-GJZGRUSLSA-N
MW277.36 g/mol
LogP2.10
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide

2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (PubChem CID 104957304) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
PubChem CID104957304
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2O)cc1C
InChIInChI=1S/C16H23NO3/c1-11-7-8-13(9-12(11)2)20-10-16(19)17-14-5-3-4-6-15(14)18/h7-9,14-15,18H,3-6,10H2,1-2H3,(H,17,19)/t14-,15-/m0/s1
InChIKeyJWPBWKIFTSZAIO-GJZGRUSLSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956604
N-(cyclohexylcarbamoyl)-2-(3,4-dimethylphenoxy)acetamide
CID 7610559
2-(3-ethylphenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62366654
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933023
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
1-cyclohexyl-2-(3,4-dimethylphenoxy)ethanone
CID 115582250
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17460949
2-(2-chloro-5-methylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104956953
2-(4-chloro-3-methylphenoxy)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916036
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (CID 104957304) is 2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is Cc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The InChIKey is JWPBWKIFTSZAIO-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-7-8-13(9-12(11)2)20-10-16(19)17-14-5-3-4-6-15(14)18/h7-9,14-15,18H,3-6,10H2,1-2H3,(H,17,19)/t14-,15-/m0/s1.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 104957304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).