2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide

C23H29N3O3 — CID 1091587

IUPAC2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(CC)cc3)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-18-5-11-21(12-6-18)29-17-22(27)24-19-7-9-20(10-8-19)25-13-15-26(16-14-25)23(28)4-2/h5-12H,3-4,13-17H2,1-2H3,(H,24,27)
InChIKeyUPRYMAXYPOCXDL-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.33
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide

2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide (PubChem CID 1091587) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
PubChem CID1091587
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
SMILESCCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(CC)cc3)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-18-5-11-21(12-6-18)29-17-22(27)24-19-7-9-20(10-8-19)25-13-15-26(16-14-25)23(28)4-2/h5-12H,3-4,13-17H2,1-2H3,(H,24,27)
InChIKeyUPRYMAXYPOCXDL-UHFFFAOYSA-N
XLogP3.33
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.33
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-Ethoxy-2'-ethyloxanilide
CID 90303
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
AAE-M-PBP-amine
CID 24763223
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
2-Methoxyfentanyl
CID 12741853
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
2-(4-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160214
Acetamide, N-(4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55424

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide (CID 1091587) is 2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide is CCC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(CC)cc3)cc2)CC1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is UPRYMAXYPOCXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-18-5-11-21(12-6-18)29-17-22(27)24-19-7-9-20(10-8-19)25-13-15-26(16-14-25)23(28)4-2/h5-12H,3-4,13-17H2,1-2H3,(H,24,27).
What are the key properties of 2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide?
2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 1091587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).