2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide

C22H29N3O2 — CID 2950672

IUPAC2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-4-24-9-11-25(12-10-24)20-7-5-19(6-8-20)23-22(26)16-27-21-14-17(2)13-18(3)15-21/h5-8,13-15H,4,9-12,16H2,1-3H3,(H,23,26)
InChIKeyYUHYPQHSYDEYLA-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.46
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide

2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide (PubChem CID 2950672) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
PubChem CID2950672
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
SMILESCCN1CCN(c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-4-24-9-11-25(12-10-24)20-7-5-19(6-8-20)23-22(26)16-27-21-14-17(2)13-18(3)15-21/h5-8,13-15H,4,9-12,16H2,1-3H3,(H,23,26)
InChIKeyYUHYPQHSYDEYLA-UHFFFAOYSA-N
XLogP3.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 21216589
N-[4-(4-butanoylpiperazin-1-yl)phenyl]-2-(3,5-dimethylphenoxy)acetamide
CID 2984231
2-(3,5-dimethylphenoxy)-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 652754
2-(4-chloro-3-methylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3793985
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-phenoxyphenoxy)acetamide
CID 26052735
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-sulfamoylphenoxy)acetamide
CID 146088437
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 925596
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 6461848
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 16624970
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 3-methoxy-4-methylbenzoate
CID 16625588
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-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide (CID 2950672) is 2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide is CCN1CCN(c2ccc(NC(=O)COc3cc(C)cc(C)c3)cc2)CC1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is YUHYPQHSYDEYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-24-9-11-25(12-10-24)20-7-5-19(6-8-20)23-22(26)16-27-21-14-17(2)13-18(3)15-21/h5-8,13-15H,4,9-12,16H2,1-3H3,(H,23,26).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 2950672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).