N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide

C11H21NO4 — CID 103722197

IUPACN-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCCC(O)C1
InChIInChI=1S/C11H21NO4/c1-15-5-6-16-8-11(14)12-9-3-2-4-10(13)7-9/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyJKXZEEJEASNGPW-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.07
Rot. Bonds6

About N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide

N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide (PubChem CID 103722197) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide
PubChem CID103722197
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC NameN-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NC1CCCC(O)C1
InChIInChI=1S/C11H21NO4/c1-15-5-6-16-8-11(14)12-9-3-2-4-10(13)7-9/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyJKXZEEJEASNGPW-UHFFFAOYSA-N
XLogP0.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide
CID 95358222
N-[3-(hydroxymethyl)cyclohexyl]-2-(2-methoxyethoxy)acetamide
CID 112752762
2-[2-[(3-hydroxycyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 61329813
N-(3-methoxycyclopentyl)-2-(2-methoxyethoxy)acetamide
CID 103083115
N-(3-hydroxycyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604612
N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide
CID 113428949
N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide
CID 105061038
methyl N-(3-hydroxycyclohexyl)carbamate
CID 103626697
N-(1,1-dioxothian-4-yl)-2-(2-methoxyethoxy)acetamide
CID 103719047
N-(3-hydroxycyclohexyl)-2-methylsulfanylacetamide
CID 131160438
methyl 4-[[2-(2-methoxyethoxy)acetyl]amino]piperidine-1-carboxylate
CID 47488724
N-[(1R,3R)-3-hydroxycyclohexyl]acetamide
CID 130005028

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide (CID 103722197) is N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NC1CCCC(O)C1.
What is the InChIKey of N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide?
The InChIKey is JKXZEEJEASNGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-15-5-6-16-8-11(14)12-9-3-2-4-10(13)7-9/h9-10,13H,2-8H2,1H3,(H,12,14).
What are the key properties of N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide?
N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide has a molecular weight of 231.29 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclohexyl)-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 103722197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).