3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide

C25H23N3O3 — CID 40716951

IUPAC3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
SMILESO=C(CCn1ccc2ccccc21)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C25H23N3O3/c29-24(15-17-28-16-14-20-10-4-6-12-22(20)28)26-27-25(30)18-31-23-13-7-5-11-21(23)19-8-2-1-3-9-19/h1-14,16H,15,17-18H2,(H,26,29)(H,27,30)
InChIKeyVUTKGBXHISTBPZ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.92
Rot. Bonds7

About 3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide

3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide (PubChem CID 40716951) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound Name3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
PubChem CID40716951
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide
SMILESO=C(CCn1ccc2ccccc21)NNC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C25H23N3O3/c29-24(15-17-28-16-14-20-10-4-6-12-22(20)28)26-27-25(30)18-31-23-13-7-5-11-21(23)19-8-2-1-3-9-19/h1-14,16H,15,17-18H2,(H,26,29)(H,27,30)
InChIKeyVUTKGBXHISTBPZ-UHFFFAOYSA-N
XLogP3.92
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide?
The IUPAC name of 3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide (CID 40716951) is 3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for 3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for 3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide is O=C(CCn1ccc2ccccc21)NNC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of 3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide?
The InChIKey is VUTKGBXHISTBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-24(15-17-28-16-14-20-10-4-6-12-22(20)28)26-27-25(30)18-31-23-13-7-5-11-21(23)19-8-2-1-3-9-19/h1-14,16H,15,17-18H2,(H,26,29)(H,27,30).
What are the key properties of 3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide?
3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide has a molecular weight of 413.48 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N'-[2-(2-phenylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 40716951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).