5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide

C21H28N4O2 — CID 3050166

IUPAC5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
SMILESCCOc1ccc(NCCN2CCN(c3ccccc3)CC2)c(C(N)=O)c1
InChIInChI=1S/C21H28N4O2/c1-2-27-18-8-9-20(19(16-18)21(22)26)23-10-11-24-12-14-25(15-13-24)17-6-4-3-5-7-17/h3-9,16,23H,2,10-15H2,1H3,(H2,22,26)
InChIKeyXOGWWYLTTORPGT-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.42
Rot. Bonds8

About 5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide

5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide (PubChem CID 3050166) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide.

Molecular Properties

Compound Name5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
PubChem CID3050166
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide
SMILESCCOc1ccc(NCCN2CCN(c3ccccc3)CC2)c(C(N)=O)c1
InChIInChI=1S/C21H28N4O2/c1-2-27-18-8-9-20(19(16-18)21(22)26)23-10-11-24-12-14-25(15-13-24)17-6-4-3-5-7-17/h3-9,16,23H,2,10-15H2,1H3,(H2,22,26)
InChIKeyXOGWWYLTTORPGT-UHFFFAOYSA-N
XLogP2.42
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide?
The IUPAC name of 5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide (CID 3050166) is 5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide.
What is the SMILES notation for 5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide?
The canonical SMILES for 5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide is CCOc1ccc(NCCN2CCN(c3ccccc3)CC2)c(C(N)=O)c1.
What is the InChIKey of 5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide?
The InChIKey is XOGWWYLTTORPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-27-18-8-9-20(19(16-18)21(22)26)23-10-11-24-12-14-25(15-13-24)17-6-4-3-5-7-17/h3-9,16,23H,2,10-15H2,1H3,(H2,22,26).
What are the key properties of 5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide?
5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide has a molecular weight of 368.48 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide is sourced from PubChem (CID 3050166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).