N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide

C19H22N2O4 — CID 17340326

IUPACN'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
SMILESCCCC(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C19H22N2O4/c1-2-6-18(22)20-21-19(23)15-9-11-17(12-10-15)25-14-13-24-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyLPAHJZFIVLJOPZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.71
Rot. Bonds8

About N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide

N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide (PubChem CID 17340326) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
PubChem CID17340326
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
SMILESCCCC(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C19H22N2O4/c1-2-6-18(22)20-21-19(23)15-9-11-17(12-10-15)25-14-13-24-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3,(H,20,22)(H,21,23)
InChIKeyLPAHJZFIVLJOPZ-UHFFFAOYSA-N
XLogP2.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.71
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'-butanoyl-4-butoxybenzohydrazide
CID 17340318
4-(2-phenoxyethoxy)-N'-(3-phenylpropanoyl)benzohydrazide
CID 4952848
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-butanoyl-4-(3-methylbutoxy)benzohydrazide
CID 4927928
4-pentoxy-N'-(2-phenoxyacetyl)benzohydrazide
CID 4935241
4-(2-phenoxyethoxy)-N'-(2-phenylacetyl)benzohydrazide
CID 4952867
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
N'-(2-phenylacetyl)-4-propoxybenzohydrazide
CID 4938615
N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953184
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097

Frequently Asked Questions

What is the IUPAC name of N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide?
The IUPAC name of N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide (CID 17340326) is N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide?
The canonical SMILES for N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide is CCCC(=O)NNC(=O)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide?
The InChIKey is LPAHJZFIVLJOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-6-18(22)20-21-19(23)15-9-11-17(12-10-15)25-14-13-24-16-7-4-3-5-8-16/h3-5,7-12H,2,6,13-14H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide?
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide is sourced from PubChem (CID 17340326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).