(2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide

C20H24N2O3 — CID 9470073

IUPAC(2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide
SMILESCCCC(C(=O)NNC(=O)COc1ccccc1C)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-9-17(16-11-5-4-6-12-16)20(24)22-21-19(23)14-25-18-13-8-7-10-15(18)2/h4-8,10-13,17H,3,9,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOJVZMDRQXMCWMU-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.11
Rot. Bonds7

About (2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide

(2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide (PubChem CID 9470073) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide.

Molecular Properties

Compound Name(2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide
PubChem CID9470073
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide
SMILESCCCC(C(=O)NNC(=O)COc1ccccc1C)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-9-17(16-11-5-4-6-12-16)20(24)22-21-19(23)14-25-18-13-8-7-10-15(18)2/h4-8,10-13,17H,3,9,14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyOJVZMDRQXMCWMU-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.11
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 (2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide?
The IUPAC name of (2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide (CID 9470073) is (2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide.
What is the SMILES notation for (2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide?
The canonical SMILES for (2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide is CCCC(C(=O)NNC(=O)COc1ccccc1C)c1ccccc1.
What is the InChIKey of (2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide?
The InChIKey is OJVZMDRQXMCWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-9-17(16-11-5-4-6-12-16)20(24)22-21-19(23)14-25-18-13-8-7-10-15(18)2/h4-8,10-13,17H,3,9,14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of (2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide?
(2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide has a molecular weight of 340.42 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide is sourced from PubChem (CID 9470073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).