N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide

C17H18N2O3 — CID 7969097

IUPACN'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
SMILESCc1ccc(OCCC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-13-7-9-15(10-8-13)22-12-11-16(20)18-19-17(21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyNPZQEJWYCKKVOH-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.23
Rot. Bonds5

About N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide

N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide (PubChem CID 7969097) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
PubChem CID7969097
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
SMILESCc1ccc(OCCC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-13-7-9-15(10-8-13)22-12-11-16(20)18-19-17(21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyNPZQEJWYCKKVOH-UHFFFAOYSA-N
XLogP2.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
N'-[3-(2,5-dimethylphenoxy)propanoyl]benzohydrazide
CID 7780022
N'-[4-(4-acetylphenoxy)butanoyl]-4-methylbenzohydrazide
CID 2091478
N'-[3-(4-methylphenoxy)propanoyl]-3-nitrobenzohydrazide
CID 9333305
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
N'-[4-(4-methylphenoxy)butanoyl]pyridine-4-carbohydrazide
CID 24979119
3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide
CID 30486316
N'-[3-(4-methylphenoxy)propanoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9313933
3-(4-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
CID 7978332
4-(2-phenoxyethoxy)-N'-(3-phenylpropanoyl)benzohydrazide
CID 4952848
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
4-hexoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 46423810

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide?
The IUPAC name of N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide (CID 7969097) is N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide?
The canonical SMILES for N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide is Cc1ccc(OCCC(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide?
The InChIKey is NPZQEJWYCKKVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-13-7-9-15(10-8-13)22-12-11-16(20)18-19-17(21)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide?
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide has a molecular weight of 298.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 7969097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).