(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide

C17H14N2O3 — CID 767136

IUPAC(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
SMILESC[C@H](C(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O3/c1-11(15(20)18-12-7-3-2-4-8-12)19-16(21)13-9-5-6-10-14(13)17(19)22/h2-11H,1H3,(H,18,20)/t11-/m1/s1
InChIKeyRBCOVOLNUPUKIZ-LLVKDONJSA-N
MW294.31 g/mol
LogP2.31
Rot. Bonds3

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

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide (PubChem CID 767136) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
PubChem CID767136
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
SMILESC[C@H](C(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14N2O3/c1-11(15(20)18-12-7-3-2-4-8-12)19-16(21)13-9-5-6-10-14(13)17(19)22/h2-11H,1H3,(H,18,20)/t11-/m1/s1
InChIKeyRBCOVOLNUPUKIZ-LLVKDONJSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 721438
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 4523065
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
(2S)-N-[4-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 8917851
methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 2788215
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
2-methylpropyl 4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 19169182

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide?
The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide (CID 767136) is (2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide.
What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide?
The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide is C[C@H](C(=O)Nc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide?
The InChIKey is RBCOVOLNUPUKIZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-11(15(20)18-12-7-3-2-4-8-12)19-16(21)13-9-5-6-10-14(13)17(19)22/h2-11H,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide?
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide has a molecular weight of 294.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide is sourced from PubChem (CID 767136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).