ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate

C19H27NO5 — CID 57309325

IUPACethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate
SMILESCCOC(=O)C(C)C1CCC(O)C(Oc2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C19H27NO5/c1-4-24-19(23)12(2)14-5-10-17(22)18(11-14)25-16-8-6-15(7-9-16)20-13(3)21/h6-9,12,14,17-18,22H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyOASOKQUESUEPQJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.75
Rot. Bonds6

About ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate

ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate (PubChem CID 57309325) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate
PubChem CID57309325
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Nameethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate
SMILESCCOC(=O)C(C)C1CCC(O)C(Oc2ccc(NC(C)=O)cc2)C1
InChIInChI=1S/C19H27NO5/c1-4-24-19(23)12(2)14-5-10-17(22)18(11-14)25-16-8-6-15(7-9-16)20-13(3)21/h6-9,12,14,17-18,22H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyOASOKQUESUEPQJ-UHFFFAOYSA-N
XLogP2.75
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide
CID 95772065
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 119329344
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
2-(4-tert-butylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63472714
1-(1-cyclopropylethyl)-3-(4-ethoxyphenyl)urea
CID 47133290
N-[4-[3-[1-cyclopropylethyl(methyl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 46445236
N-[4-(4-pentoxybutoxy)phenyl]acetamide
CID 142679131
N-[4-[(2R,6R)-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetamide
CID 58061927
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
CID 86322818
ethyl 4-(4-acetamidophenoxy)-3-oxobutanoate
CID 60643861
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate?
The IUPAC name of ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate (CID 57309325) is ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate.
What is the SMILES notation for ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate?
The canonical SMILES for ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate is CCOC(=O)C(C)C1CCC(O)C(Oc2ccc(NC(C)=O)cc2)C1.
What is the InChIKey of ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate?
The InChIKey is OASOKQUESUEPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-4-24-19(23)12(2)14-5-10-17(22)18(11-14)25-16-8-6-15(7-9-16)20-13(3)21/h6-9,12,14,17-18,22H,4-5,10-11H2,1-3H3,(H,20,21).
What are the key properties of ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate?
ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate has a molecular weight of 349.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-acetamidophenoxy)-4-hydroxycyclohexyl]propanoate is sourced from PubChem (CID 57309325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).