N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide

C22H28N2O5 — CID 24677398

IUPACN'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H28N2O5/c1-4-5-6-7-14-29-17-10-8-16(9-11-17)21(25)23-24-22(26)19-15-18(27-2)12-13-20(19)28-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRMVWMDVXJIGKOB-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.74
Rot. Bonds10

About N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide

N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide (PubChem CID 24677398) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide
PubChem CID24677398
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC NameN'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C22H28N2O5/c1-4-5-6-7-14-29-17-10-8-16(9-11-17)21(25)23-24-22(26)19-15-18(27-2)12-13-20(19)28-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRMVWMDVXJIGKOB-UHFFFAOYSA-N
XLogP3.74
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.74
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

2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-[(4-methoxyphenyl)diazenyl]-N'-(4-octoxybenzoyl)benzohydrazide
CID 137270173
N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
CID 8639762
4-hexoxy-N'-[2-(3,4,5-trimethoxyphenyl)acetyl]benzohydrazide
CID 24677365
N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-4-heptoxybenzamide
CID 4951077
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
CID 9402566
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide
CID 4930636
4-hexoxy-N-[[(3-iodo-4-methoxybenzoyl)amino]carbamothioyl]benzamide
CID 4934590
N'-[4-(2-ethoxyethoxy)benzoyl]-4-hexoxybenzohydrazide
CID 17112816

Frequently Asked Questions

What is the IUPAC name of N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide?
The IUPAC name of N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide (CID 24677398) is N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide?
The InChIKey is RMVWMDVXJIGKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-4-5-6-7-14-29-17-10-8-16(9-11-17)21(25)23-24-22(26)19-15-18(27-2)12-13-20(19)28-3/h8-13,15H,4-7,14H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide?
N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide has a molecular weight of 400.48 g/mol, XLogP of 3.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide is sourced from PubChem (CID 24677398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).