(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

C19H16N2O4 — CID 721438

IUPAC(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H16N2O4/c1-11(17(23)20-14-9-7-13(8-10-14)12(2)22)21-18(24)15-5-3-4-6-16(15)19(21)25/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyCCKPEIMYOPVTAS-LLVKDONJSA-N
MW336.35 g/mol
LogP2.51
Rot. Bonds4

About (2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide

(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 721438) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID721438
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H16N2O4/c1-11(17(23)20-14-9-7-13(8-10-14)12(2)22)21-18(24)15-5-3-4-6-16(15)19(21)25/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1
InChIKeyCCKPEIMYOPVTAS-LLVKDONJSA-N
XLogP2.51
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 4523065
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926243
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
2-methylpropyl 4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 19169182
methyl 4-[[(2R)-2-(1-methylidene-3-oxoisoindol-2-yl)propanoyl]amino]benzoate
CID 31781233
3-methylbutyl 4-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 2788612
(2S)-N-[4-(dimethylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 8917851
N-(4-acetamido-3-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 46696526
(2S)-N-(3-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7104334
methyl 3-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 2788215

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide (CID 721438) is (2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is CC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is CCKPEIMYOPVTAS-LLVKDONJSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11(17(23)20-14-9-7-13(8-10-14)12(2)22)21-18(24)15-5-3-4-6-16(15)19(21)25/h3-11H,1-2H3,(H,20,23)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide?
(2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 336.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 721438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).