2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide

C23H30N2O4 — CID 139600143

IUPAC2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
SMILESCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C23H30N2O4/c1-3-4-5-6-7-10-17-29-19-15-13-18(14-16-19)22(26)24-25-23(27)20-11-8-9-12-21(20)28-2/h8-9,11-16H,3-7,10,17H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFHMABARJVPADIX-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.51
Rot. Bonds11

About 2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide

2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide (PubChem CID 139600143) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
PubChem CID139600143
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
SMILESCCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OC)cc1
InChIInChI=1S/C23H30N2O4/c1-3-4-5-6-7-10-17-29-19-15-13-18(14-16-19)22(26)24-25-23(27)20-11-8-9-12-21(20)28-2/h8-9,11-16H,3-7,10,17H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyFHMABARJVPADIX-UHFFFAOYSA-N
XLogP4.51
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.51
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'}

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Related Compounds

2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952919
N'-(4-hexoxybenzoyl)-2,5-dimethoxybenzohydrazide
CID 24677398
N'-(4-hexoxybenzoyl)-2-hydroxybenzohydrazide
CID 5223816
2-(2-ethoxyethoxy)-N'-(4-hexoxybenzoyl)benzohydrazide
CID 17122913
2-bromo-N'-(4-heptoxybenzoyl)benzohydrazide
CID 4950819
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-(4-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
CID 4938160
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332
2-fluoro-N'-(4-pentoxybenzoyl)benzohydrazide
CID 9402566
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide?
The IUPAC name of 2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide (CID 139600143) is 2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide.
What is the SMILES notation for 2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide?
The canonical SMILES for 2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide is CCCCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2OC)cc1.
What is the InChIKey of 2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide?
The InChIKey is FHMABARJVPADIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-3-4-5-6-7-10-17-29-19-15-13-18(14-16-19)22(26)24-25-23(27)20-11-8-9-12-21(20)28-2/h8-9,11-16H,3-7,10,17H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide?
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide has a molecular weight of 398.50 g/mol, XLogP of 4.51, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide is sourced from PubChem (CID 139600143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).