4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide

C34H44N4O4 — CID 136754074

IUPAC4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide
SMILESCCCCCCCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C34H44N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-26-42-32-24-16-28(17-25-32)34(41)38-37-33(40)27-14-18-29(19-15-27)35-36-30-20-22-31(39)23-21-30/h14-25,39H,2-13,26H2,1H3,(H,37,40)(H,38,41)/b36-35+
InChIKeyDPBJYCNPUYYRFM-ULDVOPSXSA-N
MW572.75 g/mol
LogP8.96
Rot. Bonds18

About 4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide

4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide (PubChem CID 136754074) has the molecular formula C34H44N4O4 and a molecular weight of 572.75 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide
PubChem CID136754074
Molecular FormulaC34H44N4O4
Molecular Weight572.75 g/mol
Exact Mass572.34
IUPAC Name4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide
SMILESCCCCCCCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C34H44N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-26-42-32-24-16-28(17-25-32)34(41)38-37-33(40)27-14-18-29(19-15-27)35-36-30-20-22-31(39)23-21-30/h14-25,39H,2-13,26H2,1H3,(H,37,40)(H,38,41)/b36-35+
InChIKeyDPBJYCNPUYYRFM-ULDVOPSXSA-N
XLogP8.96
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 58.96
H-Bond Donors ≤ 53
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-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide
CID 137270173
4-[(4-octadecoxyphenyl)diazenyl]phenol
CID 136734796
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
1-(4-decoxyphenyl)-2-(4-hydroxyphenyl)ethane-1,2-dione
CID 101496849
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
[4-[(4-octoxyphenyl)diazenyl]phenyl] 4-dodecoxybenzoate
CID 102441423
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816
bis(4-heptoxyphenyl)diazene
CID 13087198
N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
N-[4-[[(4-hexoxybenzoyl)amino]carbamoyl]phenyl]acetamide
CID 4933763
[(4-octoxybenzoyl)amino]thiourea
CID 86177664

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide?
The IUPAC name of 4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide (CID 136754074) is 4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide.
What is the SMILES notation for 4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide?
The canonical SMILES for 4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide is CCCCCCCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccc(/N=N/c3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide?
The InChIKey is DPBJYCNPUYYRFM-ULDVOPSXSA-N. The full InChI is InChI=1S/C34H44N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-26-42-32-24-16-28(17-25-32)34(41)38-37-33(40)27-14-18-29(19-15-27)35-36-30-20-22-31(39)23-21-30/h14-25,39H,2-13,26H2,1H3,(H,37,40)(H,38,41)/b36-35+.
What are the key properties of 4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide?
4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide has a molecular weight of 572.75 g/mol, XLogP of 8.96, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)diazenyl]-N'-(4-tetradecoxybenzoyl)benzohydrazide is sourced from PubChem (CID 136754074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).