2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide

C23H22N2O5 — CID 4952919

IUPAC2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C23H22N2O5/c1-28-21-10-6-5-9-20(21)23(27)25-24-22(26)17-11-13-19(14-12-17)30-16-15-29-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyCGLRSHXDJIJBFE-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.23
Rot. Bonds8

About 2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide

2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide (PubChem CID 4952919) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
PubChem CID4952919
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C23H22N2O5/c1-28-21-10-6-5-9-20(21)23(27)25-24-22(26)17-11-13-19(14-12-17)30-16-15-29-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27)
InChIKeyCGLRSHXDJIJBFE-UHFFFAOYSA-N
XLogP3.23
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.23
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
N'-[4-(2-methoxyethoxy)benzoyl]-2-phenylmethoxybenzohydrazide
CID 17353669
N'-[2-(2-methoxyphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952895
2-chloro-N'-[4-(2-methoxyethoxy)benzoyl]benzohydrazide
CID 17353590
N'-(4-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
CID 4938160
2-methyl-N-[4-[[[2-(2-phenoxyethoxy)benzoyl]amino]carbamoyl]phenyl]propanamide
CID 4954512
2-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4954440
N'-(4-fluorobenzoyl)-2-(2-methoxyethoxy)benzohydrazide
CID 86827465
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
CID 17045712
2-(2-ethoxyethoxy)-N'-(4-hexoxybenzoyl)benzohydrazide
CID 17122913
N'-[4-(2-methoxyethoxy)benzoyl]-2-nitrobenzohydrazide
CID 17353581

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide?
The IUPAC name of 2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide (CID 4952919) is 2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide is COc1ccccc1C(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide?
The InChIKey is CGLRSHXDJIJBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-28-21-10-6-5-9-20(21)23(27)25-24-22(26)17-11-13-19(14-12-17)30-16-15-29-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide?
2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide has a molecular weight of 406.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4952919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).