N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide

C25H24N2O3 — CID 91638506

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
SMILESO=C(NC(CO)Cc1ccccc1)C(c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C25H24N2O3/c28-17-21(15-18-9-3-1-4-10-18)26-24(29)23(19-11-5-2-6-12-19)27-16-20-13-7-8-14-22(20)25(27)30/h1-14,21,23,28H,15-17H2,(H,26,29)
InChIKeyMEVTZQKHWKPRLG-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.10
Rot. Bonds7

About N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide

N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide (PubChem CID 91638506) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
PubChem CID91638506
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
SMILESO=C(NC(CO)Cc1ccccc1)C(c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C25H24N2O3/c28-17-21(15-18-9-3-1-4-10-18)26-24(29)23(19-11-5-2-6-12-19)27-16-20-13-7-8-14-22(20)25(27)30/h1-14,21,23,28H,15-17H2,(H,26,29)
InChIKeyMEVTZQKHWKPRLG-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(2-phenylethyl)acetamide
CID 6622459
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 91638341
2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 118594278
ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate
CID 92688363
N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467
N-(2-morpholin-4-ylethyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 20905548
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 92688536
N-(furan-2-ylmethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947979
(2R)-N-(2,5-dichlorophenyl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 92688450
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 25206564
methyl (2R)-2-amino-2-phenylacetate;methyl (2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetate
CID 161202330

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide (CID 91638506) is N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide is O=C(NC(CO)Cc1ccccc1)C(c1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
The InChIKey is MEVTZQKHWKPRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-17-21(15-18-9-3-1-4-10-18)26-24(29)23(19-11-5-2-6-12-19)27-16-20-13-7-8-14-22(20)25(27)30/h1-14,21,23,28H,15-17H2,(H,26,29).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide has a molecular weight of 400.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 91638506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).