4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide

C28H32N2O5 — CID 4952932

IUPAC4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C28H32N2O5/c1-2-3-4-8-19-33-25-15-11-22(12-16-25)27(31)29-30-28(32)23-13-17-26(18-14-23)35-21-20-34-24-9-6-5-7-10-24/h5-7,9-18H,2-4,8,19-21H2,1H3,(H,29,31)(H,30,32)
InChIKeyQYENTJMVTRYWLM-UHFFFAOYSA-N
MW476.57 g/mol
LogP5.18
Rot. Bonds13

About 4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide

4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide (PubChem CID 4952932) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is 4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
PubChem CID4952932
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Name4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C28H32N2O5/c1-2-3-4-8-19-33-25-15-11-22(12-16-25)27(31)29-30-28(32)23-13-17-26(18-14-23)35-21-20-34-24-9-6-5-7-10-24/h5-7,9-18H,2-4,8,19-21H2,1H3,(H,29,31)(H,30,32)
InChIKeyQYENTJMVTRYWLM-UHFFFAOYSA-N
XLogP5.18
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.57
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 4935241
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N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
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N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
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N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
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4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide
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2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
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CID 162371332

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide?
The IUPAC name of 4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide (CID 4952932) is 4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of 4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide?
The InChIKey is QYENTJMVTRYWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-2-3-4-8-19-33-25-15-11-22(12-16-25)27(31)29-30-28(32)23-13-17-26(18-14-23)35-21-20-34-24-9-6-5-7-10-24/h5-7,9-18H,2-4,8,19-21H2,1H3,(H,29,31)(H,30,32).
What are the key properties of 4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide?
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide has a molecular weight of 476.57 g/mol, XLogP of 5.18, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4952932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).