N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide

C22H20N2O4 — CID 4955128

IUPACN'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H20N2O4/c25-21(17-8-3-1-4-9-17)23-24-22(26)18-10-7-13-20(16-18)28-15-14-27-19-11-5-2-6-12-19/h1-13,16H,14-15H2,(H,23,25)(H,24,26)
InChIKeyRMFJRXNAFXENKW-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.22
Rot. Bonds7

About N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide

N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide (PubChem CID 4955128) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
PubChem CID4955128
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H20N2O4/c25-21(17-8-3-1-4-9-17)23-24-22(26)18-10-7-13-20(16-18)28-15-14-27-19-11-5-2-6-12-19/h1-13,16H,14-15H2,(H,23,25)(H,24,26)
InChIKeyRMFJRXNAFXENKW-UHFFFAOYSA-N
XLogP3.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.22
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

N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
3-(2-phenoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4955159
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
N'-[2-(4-ethylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955139
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955441
N-[[(3-methylbenzoyl)amino]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955383
N-(benzamidocarbamothioyl)-3-propoxybenzamide
CID 4960455
N'-[4-(3-methylbutoxy)benzoyl]-3-(2-phenylethoxy)benzohydrazide
CID 17134546
N-(methylcarbamothioyl)-3-(2-phenoxyethoxy)benzamide
CID 4955357
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide
CID 30486316
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide?
The IUPAC name of N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide (CID 4955128) is N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide?
The canonical SMILES for N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide is O=C(NNC(=O)c1cccc(OCCOc2ccccc2)c1)c1ccccc1.
What is the InChIKey of N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide?
The InChIKey is RMFJRXNAFXENKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(17-8-3-1-4-9-17)23-24-22(26)18-10-7-13-20(16-18)28-15-14-27-19-11-5-2-6-12-19/h1-13,16H,14-15H2,(H,23,25)(H,24,26).
What are the key properties of N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide?
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide has a molecular weight of 376.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide is sourced from PubChem (CID 4955128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).