4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide

C29H26N2O3 — CID 17073450

IUPAC4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H26N2O3/c1-2-27(34-26-19-17-24(18-20-26)22-11-7-4-8-12-22)29(33)31-30-28(32)25-15-13-23(14-16-25)21-9-5-3-6-10-21/h3-20,27H,2H2,1H3,(H,30,32)(H,31,33)
InChIKeyJHNLLWOLJPDDHT-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.64
Rot. Bonds7

About 4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide

4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide (PubChem CID 17073450) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide.

Molecular Properties

Compound Name4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
PubChem CID17073450
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC Name4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
SMILESCCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H26N2O3/c1-2-27(34-26-19-17-24(18-20-26)22-11-7-4-8-12-22)29(33)31-30-28(32)25-15-13-23(14-16-25)21-9-5-3-6-10-21/h3-20,27H,2H2,1H3,(H,30,32)(H,31,33)
InChIKeyJHNLLWOLJPDDHT-UHFFFAOYSA-N
XLogP5.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073449
2-chloro-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide
CID 17073460
N'-butanoyl-2-(4-phenylphenoxy)butanehydrazide
CID 17073544
2-methyl-N-[4-[(2-phenoxybutanoylamino)carbamoyl]phenyl]propanamide
CID 4929836
2-(4-phenylphenoxy)-N'-(3-phenylpropanoyl)butanehydrazide
CID 17073452
4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928674
N'-[2-(4-methoxyphenoxy)acetyl]-2-(4-phenylphenoxy)butanehydrazide
CID 17073439
4-methyl-N'-[2-(4-phenylphenoxy)propanoyl]benzohydrazide
CID 4951976
2-(4-phenylphenoxy)-N-[8-[2-(4-phenylphenoxy)butanoylamino]octyl]butanamide
CID 17233430
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide
CID 4928818
N'-[4-(2-ethoxyethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17112731

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide?
The IUPAC name of 4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide (CID 17073450) is 4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide.
What is the SMILES notation for 4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide?
The canonical SMILES for 4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide is CCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide?
The InChIKey is JHNLLWOLJPDDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-2-27(34-26-19-17-24(18-20-26)22-11-7-4-8-12-22)29(33)31-30-28(32)25-15-13-23(14-16-25)21-9-5-3-6-10-21/h3-20,27H,2H2,1H3,(H,30,32)(H,31,33).
What are the key properties of 4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide?
4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide has a molecular weight of 450.54 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N'-[2-(4-phenylphenoxy)butanoyl]benzohydrazide is sourced from PubChem (CID 17073450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).