2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C19H26BrNO2 — CID 1314158

IUPAC2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(C)c1ccc(OCC(=O)NCCC2=CCCCC2)c(Br)c1
InChIInChI=1S/C19H26BrNO2/c1-14(2)16-8-9-18(17(20)12-16)23-13-19(22)21-11-10-15-6-4-3-5-7-15/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3,(H,21,22)
InChIKeyZSGITTQJLLZRAD-UHFFFAOYSA-N
MW380.33 g/mol
LogP4.96
Rot. Bonds7

About 2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 1314158) has the molecular formula C19H26BrNO2 and a molecular weight of 380.33 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID1314158
Molecular FormulaC19H26BrNO2
Molecular Weight380.33 g/mol
Exact Mass379.11
IUPAC Name2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(C)c1ccc(OCC(=O)NCCC2=CCCCC2)c(Br)c1
InChIInChI=1S/C19H26BrNO2/c1-14(2)16-8-9-18(17(20)12-16)23-13-19(22)21-11-10-15-6-4-3-5-7-15/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3,(H,21,22)
InChIKeyZSGITTQJLLZRAD-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 177377392
2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1312635
3-bromo-N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methylpropoxy)benzamide
CID 17351627
2-(2-bromo-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 19202796
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 26054504
2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
CID 893611
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2483307
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713905
2-(2-bromo-4-propan-2-ylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191470
2-(4-chloro-2-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 92647652
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 4-propan-2-ylbenzoate
CID 7671540

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 1314158) is 2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CC(C)c1ccc(OCC(=O)NCCC2=CCCCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is ZSGITTQJLLZRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrNO2/c1-14(2)16-8-9-18(17(20)12-16)23-13-19(22)21-11-10-15-6-4-3-5-7-15/h6,8-9,12,14H,3-5,7,10-11,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 380.33 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 1314158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).