(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide

C17H14N2O4 — CID 101037296

IUPAC(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide
SMILESNC(=O)[C@@H]([C@@H](O)c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O4/c18-15(21)13(14(20)10-6-2-1-3-7-10)19-16(22)11-8-4-5-9-12(11)17(19)23/h1-9,13-14,20H,(H2,18,21)/t13-,14+/m1/s1
InChIKeySSMOEZXTCUIGJX-KGLIPLIRSA-N
MW310.31 g/mol
LogP0.87
Rot. Bonds4

About (2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide

(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide (PubChem CID 101037296) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is (2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide
PubChem CID101037296
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide
SMILESNC(=O)[C@@H]([C@@H](O)c1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O4/c18-15(21)13(14(20)10-6-2-1-3-7-10)19-16(22)11-8-4-5-9-12(11)17(19)23/h1-9,13-14,20H,(H2,18,21)/t13-,14+/m1/s1
InChIKeySSMOEZXTCUIGJX-KGLIPLIRSA-N
XLogP0.87
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 15513937
3-(3,4-dihydroxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoic acid
CID 13454083
ethyl 2-(1,3-dioxoisoindol-2-yl)-3-phenylbutanoate
CID 135006822
(2S)-2-(1,3-dioxoisoindol-2-yl)-2-phenylacetate
CID 6948636
(3S)-3-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid
CID 762962
2-[(1S,2R)-1-hydroxy-3-oxo-1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-yl]isoindole-1,3-dione;methane;hydrochloride
CID 162171387
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
2-(2,5-dimethyl-4-oxohexan-3-yl)isoindole-1,3-dione
CID 70891240
2-(1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
CID 2877850
[(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926307
2,2-bis(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 14542722
methyl (2S,3S)-3-(3,4-diacetyloxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate
CID 102330547

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide?
The IUPAC name of (2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide (CID 101037296) is (2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide.
What is the SMILES notation for (2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide?
The canonical SMILES for (2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide is NC(=O)[C@@H]([C@@H](O)c1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide?
The InChIKey is SSMOEZXTCUIGJX-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H14N2O4/c18-15(21)13(14(20)10-6-2-1-3-7-10)19-16(22)11-8-4-5-9-12(11)17(19)23/h1-9,13-14,20H,(H2,18,21)/t13-,14+/m1/s1.
What are the key properties of (2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide?
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide has a molecular weight of 310.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 101037296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).