4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide

C70H108N2O4 — CID 102344080

IUPAC4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
SMILESCCCCCCCCCCCCCCCCCCCCCCOc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C70H108N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-59-75-67-55-51-63(52-56-67)61-43-47-65(48-44-61)69(73)71-72-70(74)66-49-45-62(46-50-66)64-53-57-68(58-54-64)76-60-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-58H,3-42,59-60H2,1-2H3,(H,71,73)(H,72,74)
InChIKeyAASRDLDEKMSAAU-UHFFFAOYSA-N
MW1041.64 g/mol
LogP21.50
Rot. Bonds48

About 4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide

4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide (PubChem CID 102344080) has the molecular formula C70H108N2O4 and a molecular weight of 1041.64 g/mol. Its IUPAC name is 4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
PubChem CID102344080
Molecular FormulaC70H108N2O4
Molecular Weight1041.64 g/mol
Exact Mass1040.83
IUPAC Name4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
SMILESCCCCCCCCCCCCCCCCCCCCCCOc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C70H108N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-59-75-67-55-51-63(52-56-67)61-43-47-65(48-44-61)69(73)71-72-70(74)66-49-45-62(46-50-66)64-53-57-68(58-54-64)76-60-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-58H,3-42,59-60H2,1-2H3,(H,71,73)(H,72,74)
InChIKeyAASRDLDEKMSAAU-UHFFFAOYSA-N
XLogP21.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds48
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.64
LogP ≤ 521.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816
[(4-octoxybenzoyl)amino]thiourea
CID 86177664
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-heptoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 4951042
N'-(4-pentoxybenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858349
4-hexoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide
CID 4934719
4-heptoxy-N-methylbenzamide
CID 3291691

Frequently Asked Questions

What is the IUPAC name of 4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide?
The IUPAC name of 4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide (CID 102344080) is 4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide.
What is the SMILES notation for 4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide?
The canonical SMILES for 4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide is CCCCCCCCCCCCCCCCCCCCCCOc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(-c4ccc(OCCCCCCCCCCCCCCCCCCCCCC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide?
The InChIKey is AASRDLDEKMSAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H108N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-59-75-67-55-51-63(52-56-67)61-43-47-65(48-44-61)69(73)71-72-70(74)66-49-45-62(46-50-66)64-53-57-68(58-54-64)76-60-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-58H,3-42,59-60H2,1-2H3,(H,71,73)(H,72,74).
What are the key properties of 4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide?
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide has a molecular weight of 1041.64 g/mol, XLogP of 21.50, 48 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide is sourced from PubChem (CID 102344080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).