(2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide

C22H26N2O3 — CID 100906507

IUPAC(2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCC[C@H](C)[C@H](C(=O)N[C@@H](CO)c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C22H26N2O3/c1-3-15(2)20(24-13-17-11-7-8-12-18(17)22(24)27)21(26)23-19(14-25)16-9-5-4-6-10-16/h4-12,15,19-20,25H,3,13-14H2,1-2H3,(H,23,26)/t15-,19-,20+/m0/s1
InChIKeyHTUOCHWIZUIUTC-RYGJVYDSSA-N
MW366.46 g/mol
LogP2.91
Rot. Bonds7

About (2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide

(2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide (PubChem CID 100906507) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound Name(2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
PubChem CID100906507
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
SMILESCC[C@H](C)[C@H](C(=O)N[C@@H](CO)c1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C22H26N2O3/c1-3-15(2)20(24-13-17-11-7-8-12-18(17)22(24)27)21(26)23-19(14-25)16-9-5-4-6-10-16/h4-12,15,19-20,25H,3,13-14H2,1-2H3,(H,23,26)/t15-,19-,20+/m0/s1
InChIKeyHTUOCHWIZUIUTC-RYGJVYDSSA-N
XLogP2.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 99997019
(2S,3S)-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 124864895
(2S)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 129490780
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 91823111
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetamide
CID 91638506
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
3-hydroxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 175744186
2-[(1S)-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 118594278
2-butan-2-yl-3H-isoindol-1-one;ethane
CID 177036147
ethyl 2-[[(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenylacetyl]amino]acetate
CID 92688363
2-(4-hydroxy-3-oxobutan-2-yl)-3H-isoindol-1-one
CID 123571476
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The IUPAC name of (2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide (CID 100906507) is (2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for (2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for (2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide is CC[C@H](C)[C@H](C(=O)N[C@@H](CO)c1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
The InChIKey is HTUOCHWIZUIUTC-RYGJVYDSSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-15(2)20(24-13-17-11-7-8-12-18(17)22(24)27)21(26)23-19(14-25)16-9-5-4-6-10-16/h4-12,15,19-20,25H,3,13-14H2,1-2H3,(H,23,26)/t15-,19-,20+/m0/s1.
What are the key properties of (2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide?
(2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide has a molecular weight of 366.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(1R)-2-hydroxy-1-phenylethyl]-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 100906507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).