(1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate

C19H18N2O5 — CID 146479709

IUPAC(1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(Cc1ccccc1)C(=O)ON1C(=O)c2ccccc2C1O
InChIInChI=1S/C19H18N2O5/c1-12(22)20-16(11-13-7-3-2-4-8-13)19(25)26-21-17(23)14-9-5-6-10-15(14)18(21)24/h2-10,16-17,23H,11H2,1H3,(H,20,22)
InChIKeyDKCPKHXRXXDIBL-UHFFFAOYSA-N
MW354.36 g/mol
LogP1.34
Rot. Bonds5

About (1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate

(1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate (PubChem CID 146479709) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is (1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Name(1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate
PubChem CID146479709
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name(1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate
SMILESCC(=O)NC(Cc1ccccc1)C(=O)ON1C(=O)c2ccccc2C1O
InChIInChI=1S/C19H18N2O5/c1-12(22)20-16(11-13-7-3-2-4-8-13)19(25)26-21-17(23)14-9-5-6-10-15(14)18(21)24/h2-10,16-17,23H,11H2,1H3,(H,20,22)
InChIKeyDKCPKHXRXXDIBL-UHFFFAOYSA-N
XLogP1.34
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate 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

(1,3-dioxoisoindol-2-yl) 2-acetamido-3-phenylpropanoate
CID 146479587
(1,3-dioxoisoindol-2-yl)methyl 2-acetamido-3-phenylpropanoate
CID 2929077
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
tert-butyl 2-acetamido-3-phenylpropanoate
CID 70959830
propyl 2-acetamido-3-phenylpropanoate
CID 3917469
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
(2-amino-2-sulfanylideneethyl) (2R)-2-acetamido-3-phenylpropanoate
CID 102030710
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
(2-amino-2-sulfanylideneethyl) (2S)-2-acetamido-3-phenylpropanoate
CID 25192392
methyl 2-acetamido-3-phenylpropanoate;1,2,3,5-tetramethylimidazolidin-4-one
CID 90845313
[(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate
CID 90680450

Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate?
The IUPAC name of (1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate (CID 146479709) is (1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate.
What is the SMILES notation for (1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate?
The canonical SMILES for (1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate is CC(=O)NC(Cc1ccccc1)C(=O)ON1C(=O)c2ccccc2C1O.
What is the InChIKey of (1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate?
The InChIKey is DKCPKHXRXXDIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12(22)20-16(11-13-7-3-2-4-8-13)19(25)26-21-17(23)14-9-5-6-10-15(14)18(21)24/h2-10,16-17,23H,11H2,1H3,(H,20,22).
What are the key properties of (1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate?
(1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate has a molecular weight of 354.36 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3-oxo-1H-isoindol-2-yl) 2-acetamido-3-phenylpropanoate is sourced from PubChem (CID 146479709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).