N-(4-chlorocyclohexyl)-2-ethoxyacetamide

C10H18ClNO2 — CID 114297048

IUPACN-(4-chlorocyclohexyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1CCC(Cl)CC1
InChIInChI=1S/C10H18ClNO2/c1-2-14-7-10(13)12-9-5-3-8(11)4-6-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyJUOWGEZOBPQNIX-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.69
Rot. Bonds4

About N-(4-chlorocyclohexyl)-2-ethoxyacetamide

N-(4-chlorocyclohexyl)-2-ethoxyacetamide (PubChem CID 114297048) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)-2-ethoxyacetamide
PubChem CID114297048
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC NameN-(4-chlorocyclohexyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1CCC(Cl)CC1
InChIInChI=1S/C10H18ClNO2/c1-2-14-7-10(13)12-9-5-3-8(11)4-6-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyJUOWGEZOBPQNIX-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-ethoxyacetamide
CID 4141421
2-(2-ethoxyethoxy)-N-(4-methylcyclohexyl)acetamide
CID 86838704
N-(1-cyclopropylpiperidin-4-yl)-2-ethoxyacetamide
CID 60730874
2-ethoxy-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 79685871
2-ethoxy-N-(3-ethylcyclohexyl)acetamide
CID 64748602
2-ethoxy-N-[(1S,3R)-3-hydroxycyclohexyl]acetamide
CID 95358222
2-[2-[(4-ethylcyclohexyl)amino]-2-oxoethoxy]acetic acid
CID 60706988
2-ethoxy-N-[(3R)-piperidin-3-yl]acetamide
CID 28779924
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626367
N-(1,1-dioxothiolan-3-yl)-2-ethoxyacetamide;molecular hydrogen;propane
CID 164909794
2-(2-amino-2-methylbutoxy)-N-cyclopropylacetamide
CID 64572744
2-ethoxy-N-(5-methylpiperidin-3-yl)acetamide
CID 107585189

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)-2-ethoxyacetamide?
The IUPAC name of N-(4-chlorocyclohexyl)-2-ethoxyacetamide (CID 114297048) is N-(4-chlorocyclohexyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(4-chlorocyclohexyl)-2-ethoxyacetamide?
The canonical SMILES for N-(4-chlorocyclohexyl)-2-ethoxyacetamide is CCOCC(=O)NC1CCC(Cl)CC1.
What is the InChIKey of N-(4-chlorocyclohexyl)-2-ethoxyacetamide?
The InChIKey is JUOWGEZOBPQNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-2-14-7-10(13)12-9-5-3-8(11)4-6-9/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of N-(4-chlorocyclohexyl)-2-ethoxyacetamide?
N-(4-chlorocyclohexyl)-2-ethoxyacetamide has a molecular weight of 219.71 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)-2-ethoxyacetamide is sourced from PubChem (CID 114297048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).