(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide

C26H26N2O5 — CID 92688547

IUPAC(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc(OC)c1OC
InChIInChI=1S/C26H26N2O5/c1-31-22-14-19(15-23(32-2)24(22)33-3)27-25(29)21(13-17-9-5-4-6-10-17)28-16-18-11-7-8-12-20(18)26(28)30/h4-12,14-15,21H,13,16H2,1-3H3,(H,27,29)/t21-/m1/s1
InChIKeyAHRJMNCFFHKQEE-OAQYLSRUSA-N
MW446.50 g/mol
LogP3.92
Rot. Bonds8

About (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide

(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 92688547) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID92688547
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc(OC)c1OC
InChIInChI=1S/C26H26N2O5/c1-31-22-14-19(15-23(32-2)24(22)33-3)27-25(29)21(13-17-9-5-4-6-10-17)28-16-18-11-7-8-12-20(18)26(28)30/h4-12,14-15,21H,13,16H2,1-3H3,(H,27,29)/t21-/m1/s1
InChIKeyAHRJMNCFFHKQEE-OAQYLSRUSA-N
XLogP3.92
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)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

(2S)-N-(2,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20862776
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688600
2-(3-oxo-1H-isoindol-2-yl)-N-(3-phenoxyphenyl)-3-phenylpropanamide
CID 56933248
(2R)-N-(3,4-dimethoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92741995
N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905614
(2S)-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688621
(2R)-N-(2,4-dimethylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688551
N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
(3S)-3-(3-oxo-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanoic acid
CID 92661058
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 92688536
ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 92688583
(2R)-N-(4-bromo-2-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688537

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide (CID 92688547) is (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)cc(OC)c1OC.
What is the InChIKey of (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is AHRJMNCFFHKQEE-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-31-22-14-19(15-23(32-2)24(22)33-3)27-25(29)21(13-17-9-5-4-6-10-17)28-16-18-11-7-8-12-20(18)26(28)30/h4-12,14-15,21H,13,16H2,1-3H3,(H,27,29)/t21-/m1/s1.
What are the key properties of (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide?
(2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 446.50 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 92688547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).