N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide

C18H20N2O3 — CID 3139324

IUPACN'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-14-7-10-16(11-8-14)23-13-18(22)20-19-17(21)12-9-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyFGVFEHMYFNFBRB-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.15
Rot. Bonds6

About N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide

N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide (PubChem CID 3139324) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide
PubChem CID3139324
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H20N2O3/c1-14-7-10-16(11-8-14)23-13-18(22)20-19-17(21)12-9-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyFGVFEHMYFNFBRB-UHFFFAOYSA-N
XLogP2.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.15
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide?
The IUPAC name of N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide (CID 3139324) is N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide.
What is the SMILES notation for N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide?
The canonical SMILES for N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide is Cc1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide?
The InChIKey is FGVFEHMYFNFBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-14-7-10-16(11-8-14)23-13-18(22)20-19-17(21)12-9-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide?
N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide has a molecular weight of 312.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide is sourced from PubChem (CID 3139324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).