N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide

C24H32N4O — CID 10135151

IUPACN,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide
SMILESCCN1CCN(/C(=N\c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1
InChIInChI=1S/C24H32N4O/c1-4-26-16-18-28(19-17-26)23(25-22-10-8-7-9-11-22)20-12-14-21(15-13-20)24(29)27(5-2)6-3/h7-15H,4-6,16-19H2,1-3H3/b25-23-
InChIKeyQBAQOGAFIRUVMX-BZZOAKBMSA-N
MW392.55 g/mol
LogP3.88
Rot. Bonds6

About N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide

N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide (PubChem CID 10135151) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide
PubChem CID10135151
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC NameN,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide
SMILESCCN1CCN(/C(=N\c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1
InChIInChI=1S/C24H32N4O/c1-4-26-16-18-28(19-17-26)23(25-22-10-8-7-9-11-22)20-12-14-21(15-13-20)24(29)27(5-2)6-3/h7-15H,4-6,16-19H2,1-3H3/b25-23-
InChIKeyQBAQOGAFIRUVMX-BZZOAKBMSA-N
XLogP3.88
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide?
The IUPAC name of N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide (CID 10135151) is N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide is CCN1CCN(/C(=N\c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1.
What is the InChIKey of N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide?
The InChIKey is QBAQOGAFIRUVMX-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H32N4O/c1-4-26-16-18-28(19-17-26)23(25-22-10-8-7-9-11-22)20-12-14-21(15-13-20)24(29)27(5-2)6-3/h7-15H,4-6,16-19H2,1-3H3/b25-23-.
What are the key properties of N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide?
N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide has a molecular weight of 392.55 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[C-(4-ethylpiperazin-1-yl)-N-phenylcarbonimidoyl]benzamide is sourced from PubChem (CID 10135151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).