2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide

C29H24N2O3 — CID 56933248

IUPAC2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)C(Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C29H24N2O3/c32-28(30-23-13-9-16-25(19-23)34-24-14-5-2-6-15-24)27(18-21-10-3-1-4-11-21)31-20-22-12-7-8-17-26(22)29(31)33/h1-17,19,27H,18,20H2,(H,30,32)
InChIKeyBUIHRJGGTXAMBG-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.68
Rot. Bonds7

About 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide

2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide (PubChem CID 56933248) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide
PubChem CID56933248
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC Name2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)C(Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C29H24N2O3/c32-28(30-23-13-9-16-25(19-23)34-24-14-5-2-6-15-24)27(18-21-10-3-1-4-11-21)31-20-22-12-7-8-17-26(22)29(31)33/h1-17,19,27H,18,20H2,(H,30,32)
InChIKeyBUIHRJGGTXAMBG-UHFFFAOYSA-N
XLogP5.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide 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

N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905614
(2R)-N-(3-methoxyphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688682
(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92688547
(2S)-N-(2,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20862776
(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688866
(2R)-N-(2,4-dimethylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688551
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688537
N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
N-[6-(3-methoxyphenoxy)-3-pyridinyl]-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 131932528
ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 92688583
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 92688536
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688600

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide?
The IUPAC name of 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide (CID 56933248) is 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide is O=C(Nc1cccc(Oc2ccccc2)c1)C(Cc1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide?
The InChIKey is BUIHRJGGTXAMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c32-28(30-23-13-9-16-25(19-23)34-24-14-5-2-6-15-24)27(18-21-10-3-1-4-11-21)31-20-22-12-7-8-17-26(22)29(31)33/h1-17,19,27H,18,20H2,(H,30,32).
What are the key properties of 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide?
2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide has a molecular weight of 448.52 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 56933248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).