2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide

C17H23NO2 — CID 63564415

IUPAC2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
SMILESCCN(C(=O)CC1=CCCCC1)c1cc(O)ccc1C
InChIInChI=1S/C17H23NO2/c1-3-18(16-12-15(19)10-9-13(16)2)17(20)11-14-7-5-4-6-8-14/h7,9-10,12,19H,3-6,8,11H2,1-2H3
InChIKeyFLTITHBMXFLRKA-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.94
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide

2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide (PubChem CID 63564415) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
PubChem CID63564415
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
SMILESCCN(C(=O)CC1=CCCCC1)c1cc(O)ccc1C
InChIInChI=1S/C17H23NO2/c1-3-18(16-12-15(19)10-9-13(16)2)17(20)11-14-7-5-4-6-8-14/h7,9-10,12,19H,3-6,8,11H2,1-2H3
InChIKeyFLTITHBMXFLRKA-UHFFFAOYSA-N
XLogP3.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
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-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide (CID 63564415) is 2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide is CCN(C(=O)CC1=CCCCC1)c1cc(O)ccc1C.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide?
The InChIKey is FLTITHBMXFLRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-18(16-12-15(19)10-9-13(16)2)17(20)11-14-7-5-4-6-8-14/h7,9-10,12,19H,3-6,8,11H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide?
2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide has a molecular weight of 273.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide is sourced from PubChem (CID 63564415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).