(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide

C26H26N2O2 — CID 92688536

IUPAC(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
SMILESO=C(NCCCc1ccccc1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C26H26N2O2/c29-25(27-17-9-14-20-10-3-1-4-11-20)24(18-21-12-5-2-6-13-21)28-19-22-15-7-8-16-23(22)26(28)30/h1-8,10-13,15-16,24H,9,14,17-19H2,(H,27,29)/t24-/m0/s1
InChIKeyBKKWLFGMMCJTCB-DEOSSOPVSA-N
MW398.51 g/mol
LogP4.00
Rot. Bonds8

About (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide

(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide (PubChem CID 92688536) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
PubChem CID92688536
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
SMILESO=C(NCCCc1ccccc1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C26H26N2O2/c29-25(27-17-9-14-20-10-3-1-4-11-20)24(18-21-12-5-2-6-13-21)28-19-22-15-7-8-16-23(22)26(28)30/h1-8,10-13,15-16,24H,9,14,17-19H2,(H,27,29)/t24-/m0/s1
InChIKeyBKKWLFGMMCJTCB-DEOSSOPVSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide 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-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905607
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide
CID 92886577
(2S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688621
N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947979
(2R)-3-benzylsulfanyl-N-butyl-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 15945499
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(2-phenylethyl)acetamide
CID 6622459
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905716
(2R)-N-(2,4-dimethylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688551
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 91638341
(2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688497
(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92688547

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide?
The IUPAC name of (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide (CID 92688536) is (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide?
The canonical SMILES for (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide is O=C(NCCCc1ccccc1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide?
The InChIKey is BKKWLFGMMCJTCB-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-25(27-17-9-14-20-10-3-1-4-11-20)24(18-21-12-5-2-6-13-21)28-19-22-15-7-8-16-23(22)26(28)30/h1-8,10-13,15-16,24H,9,14,17-19H2,(H,27,29)/t24-/m0/s1.
What are the key properties of (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide?
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide has a molecular weight of 398.51 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 92688536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).