N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide

C29H33NO2 — CID 10410283

IUPACN-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33NO2/c1-20(2)25-16-11-17-26(21(3)4)29(25)30-28(32)19-24(31)18-27(22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-17,20-21,27H,18-19H2,1-4H3,(H,30,32)
InChIKeyUGRGXEKLUXNFOM-UHFFFAOYSA-N
MW427.59 g/mol
LogP7.05
Rot. Bonds9

About N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide

N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide (PubChem CID 10410283) has the molecular formula C29H33NO2 and a molecular weight of 427.59 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide
PubChem CID10410283
Molecular FormulaC29H33NO2
Molecular Weight427.59 g/mol
Exact Mass427.25
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33NO2/c1-20(2)25-16-11-17-26(21(3)4)29(25)30-28(32)19-24(31)18-27(22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-17,20-21,27H,18-19H2,1-4H3,(H,30,32)
InChIKeyUGRGXEKLUXNFOM-UHFFFAOYSA-N
XLogP7.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide (CID 10410283) is N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide is CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide?
The InChIKey is UGRGXEKLUXNFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NO2/c1-20(2)25-16-11-17-26(21(3)4)29(25)30-28(32)19-24(31)18-27(22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-17,20-21,27H,18-19H2,1-4H3,(H,30,32).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide?
N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide has a molecular weight of 427.59 g/mol, XLogP of 7.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-3-oxo-5,5-diphenylpentanamide is sourced from PubChem (CID 10410283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).