4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide

C29H34N4O4 — CID 137270173

IUPAC4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide
SMILESCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(/N=N/c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C29H34N4O4/c1-3-4-5-6-7-8-21-37-27-17-11-23(12-18-27)29(35)33-32-28(34)22-9-13-24(14-10-22)30-31-25-15-19-26(36-2)20-16-25/h9-20H,3-8,21H2,1-2H3,(H,32,34)(H,33,35)/b31-30+
InChIKeyBDXIOJWQUCGIFH-NVQSTNCTSA-N
MW502.62 g/mol
LogP6.92
Rot. Bonds13

About 4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide

4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide (PubChem CID 137270173) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide
PubChem CID137270173
Molecular FormulaC29H34N4O4
Molecular Weight502.62 g/mol
Exact Mass502.26
IUPAC Name4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide
SMILESCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(/N=N/c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C29H34N4O4/c1-3-4-5-6-7-8-21-37-27-17-11-23(12-18-27)29(35)33-32-28(34)22-9-13-24(14-10-22)30-31-25-15-19-26(36-2)20-16-25/h9-20H,3-8,21H2,1-2H3,(H,32,34)(H,33,35)/b31-30+
InChIKeyBDXIOJWQUCGIFH-NVQSTNCTSA-N
XLogP6.92
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide
CID 136754074
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide
CID 24677398
4-butoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4936338
bis(4-heptoxyphenyl)diazene
CID 13087198
[4-[(4-octoxyphenyl)diazenyl]phenyl] 4-dodecoxybenzoate
CID 102441423
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide?
The IUPAC name of 4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide (CID 137270173) is 4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide.
What is the SMILES notation for 4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide?
The canonical SMILES for 4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide is CCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(/N=N/c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide?
The InChIKey is BDXIOJWQUCGIFH-NVQSTNCTSA-N. The full InChI is InChI=1S/C29H34N4O4/c1-3-4-5-6-7-8-21-37-27-17-11-23(12-18-27)29(35)33-32-28(34)22-9-13-24(14-10-22)30-31-25-15-19-26(36-2)20-16-25/h9-20H,3-8,21H2,1-2H3,(H,32,34)(H,33,35)/b31-30+.
What are the key properties of 4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide?
4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide has a molecular weight of 502.62 g/mol, XLogP of 6.92, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide is sourced from PubChem (CID 137270173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).