3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide

C19H24N4O4 — CID 23136088

IUPAC3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide
SMILESNNC(=O)CCOc1ccc(Cc2ccc(OCCC(=O)NN)cc2)cc1
InChIInChI=1S/C19H24N4O4/c20-22-18(24)9-11-26-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)27-12-10-19(25)23-21/h1-8H,9-13,20-21H2,(H,22,24)(H,23,25)
InChIKeyZCELVXIGCAYWQD-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.80
Rot. Bonds10

About 3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide

3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide (PubChem CID 23136088) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide.

Molecular Properties

Compound Name3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide
PubChem CID23136088
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide
SMILESNNC(=O)CCOc1ccc(Cc2ccc(OCCC(=O)NN)cc2)cc1
InChIInChI=1S/C19H24N4O4/c20-22-18(24)9-11-26-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)27-12-10-19(25)23-21/h1-8H,9-13,20-21H2,(H,22,24)(H,23,25)
InChIKeyZCELVXIGCAYWQD-UHFFFAOYSA-N
XLogP0.80
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide?
The IUPAC name of 3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide (CID 23136088) is 3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide.
What is the SMILES notation for 3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide?
The canonical SMILES for 3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide is NNC(=O)CCOc1ccc(Cc2ccc(OCCC(=O)NN)cc2)cc1.
What is the InChIKey of 3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide?
The InChIKey is ZCELVXIGCAYWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c20-22-18(24)9-11-26-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)27-12-10-19(25)23-21/h1-8H,9-13,20-21H2,(H,22,24)(H,23,25).
What are the key properties of 3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide?
3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide has a molecular weight of 372.43 g/mol, XLogP of 0.80, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(3-hydrazinyl-3-oxopropoxy)phenyl]methyl]phenoxy]propanehydrazide is sourced from PubChem (CID 23136088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).