2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C18H24N2O3 — CID 2124087

IUPAC2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H24N2O3/c1-14(21)20-16-8-5-9-17(12-16)23-13-18(22)19-11-10-15-6-3-2-4-7-15/h5-6,8-9,12H,2-4,7,10-11,13H2,1H3,(H,19,22)(H,20,21)
InChIKeyFBZFMBBSLJIUFS-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.03
Rot. Bonds7

About 2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 2124087) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID2124087
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C18H24N2O3/c1-14(21)20-16-8-5-9-17(12-16)23-13-18(22)19-11-10-15-6-3-2-4-7-15/h5-6,8-9,12H,2-4,7,10-11,13H2,1H3,(H,19,22)(H,20,21)
InChIKeyFBZFMBBSLJIUFS-UHFFFAOYSA-N
XLogP3.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 2124087) is 2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CC(=O)Nc1cccc(OCC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is FBZFMBBSLJIUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14(21)20-16-8-5-9-17(12-16)23-13-18(22)19-11-10-15-6-3-2-4-7-15/h5-6,8-9,12H,2-4,7,10-11,13H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 316.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 2124087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).