4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

C20H25N3O2 — CID 834148

IUPAC4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-3-25-19-10-4-16(5-11-19)20(24)21-17-6-8-18(9-7-17)23-14-12-22(2)13-15-23/h4-11H,3,12-15H2,1-2H3,(H,21,24)
InChIKeyUIWZWNLUGZCHOX-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.09
Rot. Bonds5

About 4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 834148) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID834148
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C20H25N3O2/c1-3-25-19-10-4-16(5-11-19)20(24)21-17-6-8-18(9-7-17)23-14-12-22(2)13-15-23/h4-11H,3,12-15H2,1-2H3,(H,21,24)
InChIKeyUIWZWNLUGZCHOX-UHFFFAOYSA-N
XLogP3.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.09
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

Encainide
CID 48041
N-(3-(4-((4-(3,4-Dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl)carbonyl)phenoxy)propyl)acetamide
CID 114904
Encainide Hydrochloride
CID 48040
4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
VU0357121
CID 2296132
N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide
CID 60196738
1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
N-(2-Aminophenyl)-4-methoxybenzamide
CID 785232
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
Benzamide, N-(4-ethoxyphenyl)-
CID 203878

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 834148) is 4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is UIWZWNLUGZCHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-25-19-10-4-16(5-11-19)20(24)21-17-6-8-18(9-7-17)23-14-12-22(2)13-15-23/h4-11H,3,12-15H2,1-2H3,(H,21,24).
What are the key properties of 4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 834148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).