2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide

C26H36N3O2+ — CID 7106089

IUPAC2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide
SMILESCC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C26H35N3O2/c1-2-28-16-18-29(19-17-28)24-12-10-23(11-13-24)27-26(30)20-31-25-14-8-22(9-15-25)21-6-4-3-5-7-21/h8-15,21H,2-7,16-20H2,1H3,(H,27,30)/p+1
InChIKeyURTHIPJGEZJFRB-UHFFFAOYSA-O
MW422.59 g/mol
LogP3.48
Rot. Bonds7

About 2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide

2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide (PubChem CID 7106089) has the molecular formula C26H36N3O2+ and a molecular weight of 422.59 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide
PubChem CID7106089
Molecular FormulaC26H36N3O2+
Molecular Weight422.59 g/mol
Exact Mass422.28
IUPAC Name2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide
SMILESCC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C26H35N3O2/c1-2-28-16-18-29(19-17-28)24-12-10-23(11-13-24)27-26(30)20-31-25-14-8-22(9-15-25)21-6-4-3-5-7-21/h8-15,21H,2-7,16-20H2,1H3,(H,27,30)/p+1
InChIKeyURTHIPJGEZJFRB-UHFFFAOYSA-O
XLogP3.48
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
CID 7441969
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide
CID 19630470
2-(4-methylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide;hydrochloride
CID 163326658
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
2-(4-ethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 21234810
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-cyclohexylphenoxy)acetamide
CID 2944567
2-chloro-4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677426
2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141474
2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
CID 17111035
2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
CID 112502701

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide (CID 7106089) is 2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide is CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)CC1.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide?
The InChIKey is URTHIPJGEZJFRB-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H35N3O2/c1-2-28-16-18-29(19-17-28)24-12-10-23(11-13-24)27-26(30)20-31-25-14-8-22(9-15-25)21-6-4-3-5-7-21/h8-15,21H,2-7,16-20H2,1H3,(H,27,30)/p+1.
What are the key properties of 2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide?
2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide has a molecular weight of 422.59 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide is sourced from PubChem (CID 7106089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).