2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C19H25NO4 — CID 2612919

IUPAC2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCOc1ccc(C(C)=O)c(OCC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C19H25NO4/c1-14(21)17-9-8-16(23-2)12-18(17)24-13-19(22)20-11-10-15-6-4-3-5-7-15/h6,8-9,12H,3-5,7,10-11,13H2,1-2H3,(H,20,22)
InChIKeyMUCDDZMERMERIH-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.28
Rot. Bonds8

About 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 2612919) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID2612919
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCOc1ccc(C(C)=O)c(OCC(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C19H25NO4/c1-14(21)17-9-8-16(23-2)12-18(17)24-13-19(22)20-11-10-15-6-4-3-5-7-15/h6,8-9,12H,3-5,7,10-11,13H2,1-2H3,(H,20,22)
InChIKeyMUCDDZMERMERIH-UHFFFAOYSA-N
XLogP3.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 2612919) is 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is COc1ccc(C(C)=O)c(OCC(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is MUCDDZMERMERIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-14(21)17-9-8-16(23-2)12-18(17)24-13-19(22)20-11-10-15-6-4-3-5-7-15/h6,8-9,12H,3-5,7,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 331.41 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-5-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 2612919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).