4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide

C14H22N2O4 — CID 63576109

IUPAC4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide
SMILESCC(C)OCCOCCOc1ccc(C(=O)NN)cc1
InChIInChI=1S/C14H22N2O4/c1-11(2)19-9-7-18-8-10-20-13-5-3-12(4-6-13)14(17)16-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyFDBOFOULDMFXKB-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.11
Rot. Bonds9

About 4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide

4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide (PubChem CID 63576109) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide.

Molecular Properties

Compound Name4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide
PubChem CID63576109
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide
SMILESCC(C)OCCOCCOc1ccc(C(=O)NN)cc1
InChIInChI=1S/C14H22N2O4/c1-11(2)19-9-7-18-8-10-20-13-5-3-12(4-6-13)14(17)16-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyFDBOFOULDMFXKB-UHFFFAOYSA-N
XLogP1.11
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-butoxyethoxy)benzohydrazide
CID 55214383
4-[2-(2-cyclopropylethoxy)ethoxy]benzohydrazide
CID 106206530
4-[2-(4-iodophenoxy)ethoxy]benzohydrazide
CID 63576077
4-(2-butan-2-ylsulfanylethoxy)benzohydrazide
CID 63580821
4-(2-pent-4-enoxyethoxy)benzohydrazide
CID 79114465
4-pentoxybenzohydrazide
CID 2727702
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide
CID 55214410
N-[4-(2-ethoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130636
4-[2-(cyclohexylmethoxy)ethoxy]benzohydrazide
CID 63570015
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
4-(2-ethoxyethoxy)-N-[4-[[4-(2-ethoxyethoxy)benzoyl]amino]phenyl]benzamide
CID 17113406

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide?
The IUPAC name of 4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide (CID 63576109) is 4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide.
What is the SMILES notation for 4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide?
The canonical SMILES for 4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide is CC(C)OCCOCCOc1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide?
The InChIKey is FDBOFOULDMFXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-11(2)19-9-7-18-8-10-20-13-5-3-12(4-6-13)14(17)16-15/h3-6,11H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide?
4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide has a molecular weight of 282.34 g/mol, XLogP of 1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-propan-2-yloxyethoxy)ethoxy]benzohydrazide is sourced from PubChem (CID 63576109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).