2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C19H25NO4 — CID 26054504

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H25NO4/c1-14(21)16-8-9-17(18(12-16)23-2)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)
InChIKeyAVJBWMJARWYRTE-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.28
Rot. Bonds8

About 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 26054504) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID26054504
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H25NO4/c1-14(21)16-8-9-17(18(12-16)23-2)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)
InChIKeyAVJBWMJARWYRTE-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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Related Compounds

2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)propanediamide
CID 108942996
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713905
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 2709028
N-[2-(cyclohexen-1-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 18108470
[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 8011368
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CID 108993937
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 7585267
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 1314158
2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
CID 24708758
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 177377392

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 26054504) is 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is AVJBWMJARWYRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-14(21)16-8-9-17(18(12-16)23-2)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-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(4-acetyl-2-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-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 26054504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).