ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

C26H41N3O4 — CID 142608117

IUPACethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCC.CC.CN1CCN(c2ccc(NC(=O)c3ccc(OCCOCCO)cc3)cc2)CC1
InChIInChI=1S/C22H29N3O4.2C2H6/c1-24-10-12-25(13-11-24)20-6-4-19(5-7-20)23-22(27)18-2-8-21(9-3-18)29-17-16-28-15-14-26;2*1-2/h2-9,26H,10-17H2,1H3,(H,23,27);2*1-2H3
InChIKeyANNJFKCHGDDMTP-UHFFFAOYSA-N
MW459.63 g/mol
LogP4.13
Rot. Bonds9

About ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide

ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 142608117) has the molecular formula C26H41N3O4 and a molecular weight of 459.63 g/mol. Its IUPAC name is ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Nameethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID142608117
Molecular FormulaC26H41N3O4
Molecular Weight459.63 g/mol
Exact Mass459.31
IUPAC Nameethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCC.CC.CN1CCN(c2ccc(NC(=O)c3ccc(OCCOCCO)cc3)cc2)CC1
InChIInChI=1S/C22H29N3O4.2C2H6/c1-24-10-12-25(13-11-24)20-6-4-19(5-7-20)23-22(27)18-2-8-21(9-3-18)29-17-16-28-15-14-26;2*1-2/h2-9,26H,10-17H2,1H3,(H,23,27);2*1-2H3
InChIKeyANNJFKCHGDDMTP-UHFFFAOYSA-N
XLogP4.13
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.63
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-4-[2-(2-fluoroethoxy)ethoxy]benzamide
CID 142608248
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315
4-(4-methylpiperazin-1-yl)-N-[4-(oxan-2-ylmethoxy)phenyl]benzamide
CID 131944928
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9113502
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406
N-[4-(3-methoxyazetidin-1-yl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 91814615
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 834145
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 142608117) is ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is CC.CC.CN1CCN(c2ccc(NC(=O)c3ccc(OCCOCCO)cc3)cc2)CC1.
What is the InChIKey of ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is ANNJFKCHGDDMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4.2C2H6/c1-24-10-12-25(13-11-24)20-6-4-19(5-7-20)23-22(27)18-2-8-21(9-3-18)29-17-16-28-15-14-26;2*1-2/h2-9,26H,10-17H2,1H3,(H,23,27);2*1-2H3.
What are the key properties of ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide?
ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 459.63 g/mol, XLogP of 4.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(2-hydroxyethoxy)ethoxy]-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 142608117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).