3-(3-phenylpropoxymethyl)benzohydrazide

C17H20N2O2 — CID 63569149

IUPAC3-(3-phenylpropoxymethyl)benzohydrazide
SMILESNNC(=O)c1cccc(COCCCc2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c18-19-17(20)16-10-4-8-15(12-16)13-21-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12H,5,9,11,13,18H2,(H,19,20)
InChIKeyGYBFHKCEFKZQSI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.44
Rot. Bonds7

About 3-(3-phenylpropoxymethyl)benzohydrazide

3-(3-phenylpropoxymethyl)benzohydrazide (PubChem CID 63569149) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(3-phenylpropoxymethyl)benzohydrazide.

Molecular Properties

Compound Name3-(3-phenylpropoxymethyl)benzohydrazide
PubChem CID63569149
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(3-phenylpropoxymethyl)benzohydrazide
SMILESNNC(=O)c1cccc(COCCCc2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c18-19-17(20)16-10-4-8-15(12-16)13-21-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12H,5,9,11,13,18H2,(H,19,20)
InChIKeyGYBFHKCEFKZQSI-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide
CID 106668386
3-bromo-4-(3-phenylpropoxy)benzohydrazide
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5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide
CID 63570213
N-[[3-(3-phenylpropoxymethyl)phenyl]methyl]ethanamine
CID 62485606
3-[(2-methylpropan-2-yl)oxymethyl]benzohydrazide
CID 63574676
3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894
4-(3-phenylpropoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63570034
3-phenylpropyl 3-hydroxybenzoate
CID 16641326
3-(oxan-2-ylmethoxymethyl)benzohydrazide
CID 55212613
N-(3-phenylmethoxypropyl)benzamide
CID 60701514
3-phenylpropyl 4-oxo-4-[3-(phenylcarbamoyl)anilino]butanoate
CID 54781205
3-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 840785

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropoxymethyl)benzohydrazide?
The IUPAC name of 3-(3-phenylpropoxymethyl)benzohydrazide (CID 63569149) is 3-(3-phenylpropoxymethyl)benzohydrazide.
What is the SMILES notation for 3-(3-phenylpropoxymethyl)benzohydrazide?
The canonical SMILES for 3-(3-phenylpropoxymethyl)benzohydrazide is NNC(=O)c1cccc(COCCCc2ccccc2)c1.
What is the InChIKey of 3-(3-phenylpropoxymethyl)benzohydrazide?
The InChIKey is GYBFHKCEFKZQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-19-17(20)16-10-4-8-15(12-16)13-21-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12H,5,9,11,13,18H2,(H,19,20).
What are the key properties of 3-(3-phenylpropoxymethyl)benzohydrazide?
3-(3-phenylpropoxymethyl)benzohydrazide has a molecular weight of 284.36 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropoxymethyl)benzohydrazide is sourced from PubChem (CID 63569149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).