4-[4-(3-oxobutyl)phenoxy]butanehydrazide

C14H20N2O3 — CID 63577003

IUPAC4-[4-(3-oxobutyl)phenoxy]butanehydrazide
SMILESCC(=O)CCc1ccc(OCCCC(=O)NN)cc1
InChIInChI=1S/C14H20N2O3/c1-11(17)4-5-12-6-8-13(9-7-12)19-10-2-3-14(18)16-15/h6-9H,2-5,10,15H2,1H3,(H,16,18)
InChIKeyGOOPQJZVUYSCDA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.36
Rot. Bonds8

About 4-[4-(3-oxobutyl)phenoxy]butanehydrazide

4-[4-(3-oxobutyl)phenoxy]butanehydrazide (PubChem CID 63577003) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-[4-(3-oxobutyl)phenoxy]butanehydrazide.

Molecular Properties

Compound Name4-[4-(3-oxobutyl)phenoxy]butanehydrazide
PubChem CID63577003
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-[4-(3-oxobutyl)phenoxy]butanehydrazide
SMILESCC(=O)CCc1ccc(OCCCC(=O)NN)cc1
InChIInChI=1S/C14H20N2O3/c1-11(17)4-5-12-6-8-13(9-7-12)19-10-2-3-14(18)16-15/h6-9H,2-5,10,15H2,1H3,(H,16,18)
InChIKeyGOOPQJZVUYSCDA-UHFFFAOYSA-N
XLogP1.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-(3-oxobutyl)phenoxy]butanoate
CID 43378030
6-[4-(2-hydroxyethyl)phenoxy]hexanehydrazide
CID 107710067
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
4-[4-(5-chloropentoxy)phenyl]butan-2-one
CID 43168524
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
4-[4-(cyanomethyl)phenoxy]butanehydrazide
CID 55213790
4-[4-(3-methylsulfanylpropoxy)phenyl]butan-2-one
CID 115650921
3-[4-(2-methylpropoxy)phenyl]propanehydrazide
CID 164513636
4-(4-formylphenoxy)butanehydrazide
CID 63568719
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
methyl (E)-3-[4-(4-hydrazinyl-4-oxobutoxy)phenyl]-2-methylprop-2-enoate
CID 71148683
4-[4-[(7E)-7-hydroxyiminoheptoxy]phenyl]butan-2-one
CID 24899892

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-oxobutyl)phenoxy]butanehydrazide?
The IUPAC name of 4-[4-(3-oxobutyl)phenoxy]butanehydrazide (CID 63577003) is 4-[4-(3-oxobutyl)phenoxy]butanehydrazide.
What is the SMILES notation for 4-[4-(3-oxobutyl)phenoxy]butanehydrazide?
The canonical SMILES for 4-[4-(3-oxobutyl)phenoxy]butanehydrazide is CC(=O)CCc1ccc(OCCCC(=O)NN)cc1.
What is the InChIKey of 4-[4-(3-oxobutyl)phenoxy]butanehydrazide?
The InChIKey is GOOPQJZVUYSCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(17)4-5-12-6-8-13(9-7-12)19-10-2-3-14(18)16-15/h6-9H,2-5,10,15H2,1H3,(H,16,18).
What are the key properties of 4-[4-(3-oxobutyl)phenoxy]butanehydrazide?
4-[4-(3-oxobutyl)phenoxy]butanehydrazide has a molecular weight of 264.32 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-oxobutyl)phenoxy]butanehydrazide is sourced from PubChem (CID 63577003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).