2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide

C13H23NO3 — CID 110022186

IUPAC2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide
SMILESO=C(CC1=CCCCC1)NCCCOCCO
InChIInChI=1S/C13H23NO3/c15-8-10-17-9-4-7-14-13(16)11-12-5-2-1-3-6-12/h5,15H,1-4,6-11H2,(H,14,16)
InChIKeyFFZJUBVVVGJHIG-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.39
Rot. Bonds8

About 2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide

2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide (PubChem CID 110022186) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide
PubChem CID110022186
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide
SMILESO=C(CC1=CCCCC1)NCCCOCCO
InChIInChI=1S/C13H23NO3/c15-8-10-17-9-4-7-14-13(16)11-12-5-2-1-3-6-12/h5,15H,1-4,6-11H2,(H,14,16)
InChIKeyFFZJUBVVVGJHIG-UHFFFAOYSA-N
XLogP1.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
CID 63565537
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
CID 63563665
N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide
CID 63564425
2-(cyclohexen-1-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111433969
2-(cyclohexen-1-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106121943
2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 142231220
2-(cyclohexen-1-yl)-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butyl]acetamide
CID 97039150
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095
3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid
CID 104889411
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide (CID 110022186) is 2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide is O=C(CC1=CCCCC1)NCCCOCCO.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide?
The InChIKey is FFZJUBVVVGJHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-8-10-17-9-4-7-14-13(16)11-12-5-2-1-3-6-12/h5,15H,1-4,6-11H2,(H,14,16).
What are the key properties of 2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide?
2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide has a molecular weight of 241.33 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[3-(2-hydroxyethoxy)propyl]acetamide is sourced from PubChem (CID 110022186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).