2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide

C10H19NO3 — CID 95358222

IUPAC2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide
SMILESCCOCC(=O)N[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C10H19NO3/c1-2-14-7-10(13)11-8-4-3-5-9(12)6-8/h8-9,12H,2-7H2,1H3,(H,11,13)/t8-,9+/m0/s1
InChIKeyUHTTXTGJKYKXBD-DTWKUNHWSA-N
MW201.27 g/mol
LogP0.44
Rot. Bonds4

About 2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide

2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide (PubChem CID 95358222) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide
PubChem CID95358222
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide
SMILESCCOCC(=O)N[C@H]1CCC[C@@H](O)C1
InChIInChI=1S/C10H19NO3/c1-2-14-7-10(13)11-8-4-3-5-9(12)6-8/h8-9,12H,2-7H2,1H3,(H,11,13)/t8-,9+/m0/s1
InChIKeyUHTTXTGJKYKXBD-DTWKUNHWSA-N
XLogP0.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide
CID 103722197
2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 61329813
2-ethoxy-N-(3-ethylcyclohexyl)acetamide
CID 64748602
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
N-(3-hydroxycyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604612
N-(3-hydroxycyclohexyl)-2-methylsulfanylacetamide
CID 131160438
2-ethoxy-N-[(3R)-piperidin-3-yl]acetamide
CID 28779924
N-(4-chlorocyclohexyl)-2-ethoxyacetamide
CID 114297048
methyl N-(3-hydroxycyclohexyl)carbamate
CID 103626697
trans-(1S,2S)-2-[(2-ethoxyacetyl)amino]-N-methylcyclopentane-1-carboxamide
CID 97251779
1-ethyl-3-(3-hydroxycyclohexyl)urea
CID 103618902
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide (CID 95358222) is 2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide is CCOCC(=O)N[C@H]1CCC[C@@H](O)C1.
What is the InChIKey of 2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide?
The InChIKey is UHTTXTGJKYKXBD-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-14-7-10(13)11-8-4-3-5-9(12)6-8/h8-9,12H,2-7H2,1H3,(H,11,13)/t8-,9+/m0/s1.
What are the key properties of 2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide?
2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide has a molecular weight of 201.27 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 95358222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).