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

C26H29N3O3 — CID 26052735

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)COc3ccc(Oc4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C26H29N3O3/c1-2-28-16-18-29(19-17-28)22-10-8-21(9-11-22)27-26(30)20-31-23-12-14-25(15-13-23)32-24-6-4-3-5-7-24/h3-15H,2,16-20H2,1H3,(H,27,30)
InChIKeyGRFREJPJVBUWPB-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.64
Rot. Bonds8

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

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide (PubChem CID 26052735) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
PubChem CID26052735
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)COc3ccc(Oc4ccccc4)cc3)cc2)CC1
InChIInChI=1S/C26H29N3O3/c1-2-28-16-18-29(19-17-28)22-10-8-21(9-11-22)27-26(30)20-31-23-12-14-25(15-13-23)32-24-6-4-3-5-7-24/h3-15H,2,16-20H2,1H3,(H,27,30)
InChIKeyGRFREJPJVBUWPB-UHFFFAOYSA-N
XLogP4.64
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-sulfamoylphenoxy)acetamide
CID 146088437
2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 2950672
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 21216589
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
2-(4-chloro-3-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3793985
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylacetamide
CID 969221
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 16624970
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-phenoxyacetamide
CID 17335308
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 833180
N-[4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-2-(4-ethylphenoxy)acetamide
CID 17111924
2-phenoxy-N-[4-[3-[4-[(2-phenoxyacetyl)amino]phenoxy]phenoxy]phenyl]acetamide
CID 4227761

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide (CID 26052735) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide is CCN1CCN(c2ccc(NC(=O)COc3ccc(Oc4ccccc4)cc3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide?
The InChIKey is GRFREJPJVBUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-2-28-16-18-29(19-17-28)22-10-8-21(9-11-22)27-26(30)20-31-23-12-14-25(15-13-23)32-24-6-4-3-5-7-24/h3-15H,2,16-20H2,1H3,(H,27,30).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide is sourced from PubChem (CID 26052735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).