(2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide

C25H24N2O2 — CID 92688497

IUPAC(2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C25H24N2O2/c1-26(17-20-12-6-3-7-13-20)25(29)23(16-19-10-4-2-5-11-19)27-18-21-14-8-9-15-22(21)24(27)28/h2-15,23H,16-18H2,1H3/t23-/m1/s1
InChIKeyACEKHXRFIZHFBK-HSZRJFAPSA-N
MW384.48 g/mol
LogP3.91
Rot. Bonds6

About (2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide

(2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide (PubChem CID 92688497) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
PubChem CID92688497
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C25H24N2O2/c1-26(17-20-12-6-3-7-13-20)25(29)23(16-19-10-4-2-5-11-19)27-18-21-14-8-9-15-22(21)24(27)28/h2-15,23H,16-18H2,1H3/t23-/m1/s1
InChIKeyACEKHXRFIZHFBK-HSZRJFAPSA-N
XLogP3.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 92688536
N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905607
(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 7062090
methyl (2R)-3-(4-hydroxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanoate
CID 7086124
2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-3-phenylpropanoic acid
CID 141059879
(2R)-N-(2,4-dimethylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688551
2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 118594278
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 91638341
N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947979
(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 (2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The IUPAC name of (2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide (CID 92688497) is (2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The canonical SMILES for (2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide is CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
The InChIKey is ACEKHXRFIZHFBK-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-26(17-20-12-6-3-7-13-20)25(29)23(16-19-10-4-2-5-11-19)27-18-21-14-8-9-15-22(21)24(27)28/h2-15,23H,16-18H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide?
(2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide has a molecular weight of 384.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-methyl-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 92688497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).