4-(4-propylphenyl)oxane-4-carbohydrazide

C15H22N2O2 — CID 116844573

IUPAC4-(4-propylphenyl)oxane-4-carbohydrazide
SMILESCCCc1ccc(C2(C(=O)NN)CCOCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-3-12-4-6-13(7-5-12)15(14(18)17-16)8-10-19-11-9-15/h4-7H,2-3,8-11,16H2,1H3,(H,17,18)
InChIKeyWFBNXKABWUKCNL-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.68
Rot. Bonds4

About 4-(4-propylphenyl)oxane-4-carbohydrazide

4-(4-propylphenyl)oxane-4-carbohydrazide (PubChem CID 116844573) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-(4-propylphenyl)oxane-4-carbohydrazide.

Molecular Properties

Compound Name4-(4-propylphenyl)oxane-4-carbohydrazide
PubChem CID116844573
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-(4-propylphenyl)oxane-4-carbohydrazide
SMILESCCCc1ccc(C2(C(=O)NN)CCOCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-2-3-12-4-6-13(7-5-12)15(14(18)17-16)8-10-19-11-9-15/h4-7H,2-3,8-11,16H2,1H3,(H,17,18)
InChIKeyWFBNXKABWUKCNL-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.68
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

1-(4-ethylphenyl)cyclobutane-1-carbohydrazide
CID 116844257
4-(3-fluoro-4-methoxyphenyl)oxane-4-carbohydrazide
CID 116844569
1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide
CID 116844123
4-(4-propylphenyl)oxepan-4-ol
CID 65080658
1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide
CID 116844192
N-[2-(4-aminophenyl)ethyl]-4-(4-fluorophenyl)oxane-4-carboxamide;hydrochloride
CID 119547579
1-(4-ethoxyphenyl)cyclobutane-1-carbohydrazide
CID 116844292
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093
4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide
CID 95149227
4-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 4250680
2-hydrazinyl-2-oxo-N-(4-propylphenyl)acetamide
CID 43378780
ethyl 4-(4-isocyanophenyl)oxane-4-carboxylate
CID 58538802

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylphenyl)oxane-4-carbohydrazide?
The IUPAC name of 4-(4-propylphenyl)oxane-4-carbohydrazide (CID 116844573) is 4-(4-propylphenyl)oxane-4-carbohydrazide.
What is the SMILES notation for 4-(4-propylphenyl)oxane-4-carbohydrazide?
The canonical SMILES for 4-(4-propylphenyl)oxane-4-carbohydrazide is CCCc1ccc(C2(C(=O)NN)CCOCC2)cc1.
What is the InChIKey of 4-(4-propylphenyl)oxane-4-carbohydrazide?
The InChIKey is WFBNXKABWUKCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-3-12-4-6-13(7-5-12)15(14(18)17-16)8-10-19-11-9-15/h4-7H,2-3,8-11,16H2,1H3,(H,17,18).
What are the key properties of 4-(4-propylphenyl)oxane-4-carbohydrazide?
4-(4-propylphenyl)oxane-4-carbohydrazide has a molecular weight of 262.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylphenyl)oxane-4-carbohydrazide is sourced from PubChem (CID 116844573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).