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

C25H34N3O2+ — CID 7441969

IUPAC2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
SMILESC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C25H33N3O2/c1-27-15-17-28(18-16-27)23-11-9-22(10-12-23)26-25(29)19-30-24-13-7-21(8-14-24)20-5-3-2-4-6-20/h7-14,20H,2-6,15-19H2,1H3,(H,26,29)/p+1
InChIKeyJYUCFKIVLMVGIO-UHFFFAOYSA-O
MW408.57 g/mol
LogP3.09
Rot. Bonds6

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

2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide (PubChem CID 7441969) has the molecular formula C25H34N3O2+ and a molecular weight of 408.57 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
PubChem CID7441969
Molecular FormulaC25H34N3O2+
Molecular Weight408.57 g/mol
Exact Mass408.26
IUPAC Name2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
SMILESC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)CC1
InChIInChI=1S/C25H33N3O2/c1-27-15-17-28(18-16-27)23-11-9-22(10-12-23)26-25(29)19-30-24-13-7-21(8-14-24)20-5-3-2-4-6-20/h7-14,20H,2-6,15-19H2,1H3,(H,26,29)/p+1
InChIKeyJYUCFKIVLMVGIO-UHFFFAOYSA-O
XLogP3.09
TPSA46.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.09
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-ethylpiperazin-4-ium-1-yl)phenyl]acetamide
CID 7106089
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-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
CID 17111035
2-chloro-4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677426
2-(4-ethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 21234810
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-cyclohexylphenoxy)acetamide
CID 2944567
2-(4-methylphenoxy)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]acetamide
CID 112502701
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 94140245

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide (CID 7441969) is 2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide is C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)CC1.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide?
The InChIKey is JYUCFKIVLMVGIO-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H33N3O2/c1-27-15-17-28(18-16-27)23-11-9-22(10-12-23)26-25(29)19-30-24-13-7-21(8-14-24)20-5-3-2-4-6-20/h7-14,20H,2-6,15-19H2,1H3,(H,26,29)/p+1.
What are the key properties of 2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide?
2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide has a molecular weight of 408.57 g/mol, XLogP of 3.09, 6 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-methylpiperazin-4-ium-1-yl)phenyl]acetamide is sourced from PubChem (CID 7441969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).