ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide

C20H36N4O — CID 177318198

IUPACethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide
SMILESCC.CCCCCCNNC(=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N4O.C2H6/c1-3-4-5-6-11-19-20-18(23)16-7-9-17(10-8-16)22-14-12-21(2)13-15-22;1-2/h7-10,19H,3-6,11-15H2,1-2H3,(H,20,23);1-2H3
InChIKeyRLOURCWVCOCMLI-UHFFFAOYSA-N
MW348.54 g/mol
LogP3.28
Rot. Bonds8

About ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide

ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide (PubChem CID 177318198) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide.

Molecular Properties

Compound Nameethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide
PubChem CID177318198
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Nameethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide
SMILESCC.CCCCCCNNC(=O)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C18H30N4O.C2H6/c1-3-4-5-6-11-19-20-18(23)16-7-9-17(10-8-16)22-14-12-21(2)13-15-22;1-2/h7-10,19H,3-6,11-15H2,1-2H3,(H,20,23);1-2H3
InChIKeyRLOURCWVCOCMLI-UHFFFAOYSA-N
XLogP3.28
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide?
The IUPAC name of ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide (CID 177318198) is ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide.
What is the SMILES notation for ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide?
The canonical SMILES for ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide is CC.CCCCCCNNC(=O)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide?
The InChIKey is RLOURCWVCOCMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.C2H6/c1-3-4-5-6-11-19-20-18(23)16-7-9-17(10-8-16)22-14-12-21(2)13-15-22;1-2/h7-10,19H,3-6,11-15H2,1-2H3,(H,20,23);1-2H3.
What are the key properties of ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide?
ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide has a molecular weight of 348.54 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-hexyl-4-(4-methylpiperazin-1-yl)benzohydrazide is sourced from PubChem (CID 177318198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).