4-(2-butoxyethoxy)benzohydrazide

C13H20N2O3 — CID 55214383

IUPAC4-(2-butoxyethoxy)benzohydrazide
SMILESCCCCOCCOc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H20N2O3/c1-2-3-8-17-9-10-18-12-6-4-11(5-7-12)13(16)15-14/h4-7H,2-3,8-10,14H2,1H3,(H,15,16)
InChIKeyWMOFJXIANKHYMV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.49
Rot. Bonds8

About 4-(2-butoxyethoxy)benzohydrazide

4-(2-butoxyethoxy)benzohydrazide (PubChem CID 55214383) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)benzohydrazide.

Molecular Properties

Compound Name4-(2-butoxyethoxy)benzohydrazide
PubChem CID55214383
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(2-butoxyethoxy)benzohydrazide
SMILESCCCCOCCOc1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H20N2O3/c1-2-3-8-17-9-10-18-12-6-4-11(5-7-12)13(16)15-14/h4-7H,2-3,8-10,14H2,1H3,(H,15,16)
InChIKeyWMOFJXIANKHYMV-UHFFFAOYSA-N
XLogP1.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.49
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

4-pentoxybenzohydrazide
CID 2727702
4-(2-pent-4-enoxyethoxy)benzohydrazide
CID 79114465
4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide
CID 63576109
4-[2-(2-cyclopropylethoxy)ethoxy]benzohydrazide
CID 106206530
ethyl 4-(2-octoxyethoxy)benzoate
CID 10064743
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
CID 63570015
4-[2-(4-methylcyclohexyl)oxyethoxy]benzohydrazide
CID 63575751
4-(2-butoxyethoxy)-N-(2,3-dichlorophenyl)benzamide
CID 12771069

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)benzohydrazide?
The IUPAC name of 4-(2-butoxyethoxy)benzohydrazide (CID 55214383) is 4-(2-butoxyethoxy)benzohydrazide.
What is the SMILES notation for 4-(2-butoxyethoxy)benzohydrazide?
The canonical SMILES for 4-(2-butoxyethoxy)benzohydrazide is CCCCOCCOc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-(2-butoxyethoxy)benzohydrazide?
The InChIKey is WMOFJXIANKHYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-3-8-17-9-10-18-12-6-4-11(5-7-12)13(16)15-14/h4-7H,2-3,8-10,14H2,1H3,(H,15,16).
What are the key properties of 4-(2-butoxyethoxy)benzohydrazide?
4-(2-butoxyethoxy)benzohydrazide has a molecular weight of 252.31 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)benzohydrazide is sourced from PubChem (CID 55214383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).