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

C22H26N2O2 — CID 18225951

IUPAC2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Nc2ccccc2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C22H26N2O2/c25-22(23-16-15-18-7-3-1-4-8-18)17-26-21-13-11-20(12-14-21)24-19-9-5-2-6-10-19/h2,5-7,9-14,24H,1,3-4,8,15-17H2,(H,23,25)
InChIKeyGZSMMADPCNNUCM-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.82
Rot. Bonds8

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

2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 18225951) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID18225951
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(Nc2ccccc2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C22H26N2O2/c25-22(23-16-15-18-7-3-1-4-8-18)17-26-21-13-11-20(12-14-21)24-19-9-5-2-6-10-19/h2,5-7,9-14,24H,1,3-4,8,15-17H2,(H,23,25)
InChIKeyGZSMMADPCNNUCM-UHFFFAOYSA-N
XLogP4.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(4-methylphenoxy)acetamide
CID 730729
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide
CID 5026304
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide
CID 109014767
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4031208
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713905
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128323
2-(3-chloro-4-fluorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 112778726
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109014741
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-2-ylamino)acetamide
CID 31665923
methyl 4-[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethoxy]benzoate
CID 7965089
2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2706736

Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 18225951) is 2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is O=C(COc1ccc(Nc2ccccc2)cc1)NCCC1=CCCCC1.
What is the InChIKey of 2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is GZSMMADPCNNUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-22(23-16-15-18-7-3-1-4-8-18)17-26-21-13-11-20(12-14-21)24-19-9-5-2-6-10-19/h2,5-7,9-14,24H,1,3-4,8,15-17H2,(H,23,25).
What are the key properties of 2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 18225951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).