2-(4-propylphenoxy)butanehydrazide

C13H20N2O2 — CID 63570904

IUPAC2-(4-propylphenoxy)butanehydrazide
SMILESCCCc1ccc(OC(CC)C(=O)NN)cc1
InChIInChI=1S/C13H20N2O2/c1-3-5-10-6-8-11(9-7-10)17-12(4-2)13(16)15-14/h6-9,12H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyWIJQPBHRNGXYTA-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.79
Rot. Bonds6

About 2-(4-propylphenoxy)butanehydrazide

2-(4-propylphenoxy)butanehydrazide (PubChem CID 63570904) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-propylphenoxy)butanehydrazide.

Molecular Properties

Compound Name2-(4-propylphenoxy)butanehydrazide
PubChem CID63570904
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-propylphenoxy)butanehydrazide
SMILESCCCc1ccc(OC(CC)C(=O)NN)cc1
InChIInChI=1S/C13H20N2O2/c1-3-5-10-6-8-11(9-7-10)17-12(4-2)13(16)15-14/h6-9,12H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyWIJQPBHRNGXYTA-UHFFFAOYSA-N
XLogP1.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
2-(3-propan-2-ylphenoxy)butanehydrazide
CID 55213791
2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133240086
2-[4-(trifluoromethyl)phenoxy]pentanehydrazide
CID 83047631
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354
N-tert-butyl-2-(4-ethylphenoxy)butanamide
CID 53288787
(2S)-2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 92683031
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133185613
2-(4-fluorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 46771830
2-naphthalen-2-yloxypentanehydrazide
CID 54792972
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylphenoxy)butanehydrazide?
The IUPAC name of 2-(4-propylphenoxy)butanehydrazide (CID 63570904) is 2-(4-propylphenoxy)butanehydrazide.
What is the SMILES notation for 2-(4-propylphenoxy)butanehydrazide?
The canonical SMILES for 2-(4-propylphenoxy)butanehydrazide is CCCc1ccc(OC(CC)C(=O)NN)cc1.
What is the InChIKey of 2-(4-propylphenoxy)butanehydrazide?
The InChIKey is WIJQPBHRNGXYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-5-10-6-8-11(9-7-10)17-12(4-2)13(16)15-14/h6-9,12H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-propylphenoxy)butanehydrazide?
2-(4-propylphenoxy)butanehydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylphenoxy)butanehydrazide is sourced from PubChem (CID 63570904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).