N'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide

C29H26N2O3 — CID 1100572

IUPACN'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide
SMILESCc1ccc(C(O)(C(=O)NN(C(=O)c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H26N2O3/c1-21-13-17-24(18-14-21)29(34,25-19-15-22(2)16-20-25)28(33)30-31(26-11-7-4-8-12-26)27(32)23-9-5-3-6-10-23/h3-20,34H,1-2H3,(H,30,33)
InChIKeyVUADXVCIVAOSTN-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.92
Rot. Bonds5

About N'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide

N'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide (PubChem CID 1100572) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide
PubChem CID1100572
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC NameN'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide
SMILESCc1ccc(C(O)(C(=O)NN(C(=O)c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H26N2O3/c1-21-13-17-24(18-14-21)29(34,25-19-15-22(2)16-20-25)28(33)30-31(26-11-7-4-8-12-26)27(32)23-9-5-3-6-10-23/h3-20,34H,1-2H3,(H,30,33)
InChIKeyVUADXVCIVAOSTN-UHFFFAOYSA-N
XLogP4.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.92
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-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide?
The IUPAC name of N'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide (CID 1100572) is N'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide.
What is the SMILES notation for N'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide?
The canonical SMILES for N'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide is Cc1ccc(C(O)(C(=O)NN(C(=O)c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide?
The InChIKey is VUADXVCIVAOSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-21-13-17-24(18-14-21)29(34,25-19-15-22(2)16-20-25)28(33)30-31(26-11-7-4-8-12-26)27(32)23-9-5-3-6-10-23/h3-20,34H,1-2H3,(H,30,33).
What are the key properties of N'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide?
N'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide has a molecular weight of 450.54 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-2,2-bis(4-methylphenyl)acetyl]-N-phenylbenzohydrazide is sourced from PubChem (CID 1100572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).