2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide

C16H21NO2 — CID 63563470

IUPAC2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide
SMILESCC(O)c1ccccc1NC(=O)CC1=CCCCC1
InChIInChI=1S/C16H21NO2/c1-12(18)14-9-5-6-10-15(14)17-16(19)11-13-7-3-2-4-8-13/h5-7,9-10,12,18H,2-4,8,11H2,1H3,(H,17,19)
InChIKeyTZWSRTBSUOEYPP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.57
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide

2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide (PubChem CID 63563470) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide
PubChem CID63563470
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide
SMILESCC(O)c1ccccc1NC(=O)CC1=CCCCC1
InChIInChI=1S/C16H21NO2/c1-12(18)14-9-5-6-10-15(14)17-16(19)11-13-7-3-2-4-8-13/h5-7,9-10,12,18H,2-4,8,11H2,1H3,(H,17,19)
InChIKeyTZWSRTBSUOEYPP-UHFFFAOYSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide (CID 63563470) is 2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide is CC(O)c1ccccc1NC(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide?
The InChIKey is TZWSRTBSUOEYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(18)14-9-5-6-10-15(14)17-16(19)11-13-7-3-2-4-8-13/h5-7,9-10,12,18H,2-4,8,11H2,1H3,(H,17,19).
What are the key properties of 2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide?
2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide has a molecular weight of 259.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[2-(1-hydroxyethyl)phenyl]acetamide is sourced from PubChem (CID 63563470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).