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

C16H23NO4 — CID 104956604

IUPAC2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESCCOc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C16H23NO4/c1-2-20-12-7-9-13(10-8-12)21-11-16(19)17-14-5-3-4-6-15(14)18/h7-10,14-15,18H,2-6,11H2,1H3,(H,17,19)/t14-,15-/m0/s1
InChIKeyFDYSYUHNIQNBLG-GJZGRUSLSA-N
MW293.36 g/mol
LogP1.88
Rot. Bonds6

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

2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (PubChem CID 104956604) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
PubChem CID104956604
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
SMILESCCOc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C16H23NO4/c1-2-20-12-7-9-13(10-8-12)21-11-16(19)17-14-5-3-4-6-15(14)18/h7-10,14-15,18H,2-6,11H2,1H3,(H,17,19)/t14-,15-/m0/s1
InChIKeyFDYSYUHNIQNBLG-GJZGRUSLSA-N
XLogP1.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-(4-ethoxyphenoxy)acetamide;hydrochloride
CID 119610949
2-(3,4-dimethylphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide
CID 104957304
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
2-(3-ethylphenoxy)-N-(2-hydroxycyclohexyl)acetamide
CID 62366654
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 156584374
2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 27870934
2-(4-ethoxyanilino)cyclohexan-1-ol
CID 60883757
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2441435
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 110933023
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(4-methylphenoxy)propanamide
CID 104956597
N-[(1R,2R)-2-hydroxycyclohexyl]-3-(4-methoxyphenoxy)propanamide
CID 104927572

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide (CID 104956604) is 2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is CCOc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2O)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
The InChIKey is FDYSYUHNIQNBLG-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23NO4/c1-2-20-12-7-9-13(10-8-12)21-11-16(19)17-14-5-3-4-6-15(14)18/h7-10,14-15,18H,2-6,11H2,1H3,(H,17,19)/t14-,15-/m0/s1.
What are the key properties of 2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide?
2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide has a molecular weight of 293.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[(1S,2S)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 104956604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).