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

C18H16N2O4 — CID 118343365

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
SMILESCONC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O4/c1-24-19-16(21)15(11-12-7-3-2-4-8-12)20-17(22)13-9-5-6-10-14(13)18(20)23/h2-10,15H,11H2,1H3,(H,19,21)
InChIKeyGAFSZRRYZBVHAU-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.57
Rot. Bonds5

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

2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide (PubChem CID 118343365) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
PubChem CID118343365
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
SMILESCONC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H16N2O4/c1-24-19-16(21)15(11-12-7-3-2-4-8-12)20-17(22)13-9-5-6-10-14(13)18(20)23/h2-10,15H,11H2,1H3,(H,19,21)
InChIKeyGAFSZRRYZBVHAU-UHFFFAOYSA-N
XLogP1.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690
methyl (2S,3R)-2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]-3-methylpentanoate
CID 8927874
ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
methyl 2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 1112294
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(1-phenylethyl)propanamide
CID 3148598
(2S)-N-[(2S)-butan-2-yl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 2597519
2-oxopropyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 22110471
(3S)-3-(1,3-dioxoisoindol-2-yl)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 165366864
methyl (2S)-2-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]hex-5-enoate
CID 139615150
methyl (2S)-2-[13-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]-3-phenylpropanoate;bis(propan-2-one)
CID 139090030
methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)propanoate
CID 146201481
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8927721

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide (CID 118343365) is 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide is CONC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide?
The InChIKey is GAFSZRRYZBVHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-24-19-16(21)15(11-12-7-3-2-4-8-12)20-17(22)13-9-5-6-10-14(13)18(20)23/h2-10,15H,11H2,1H3,(H,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide?
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide has a molecular weight of 324.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide is sourced from PubChem (CID 118343365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).