(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide

C26H19N3O5 — CID 55943302

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide
SMILESCN1C(=O)c2ccc(NC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2C1=O
InChIInChI=1S/C26H19N3O5/c1-28-23(31)19-12-11-16(14-20(19)24(28)32)27-22(30)21(13-15-7-3-2-4-8-15)29-25(33)17-9-5-6-10-18(17)26(29)34/h2-12,14,21H,13H2,1H3,(H,27,30)/t21-/m0/s1
InChIKeyPBSARGZPOXAXRD-NRFANRHFSA-N
MW453.45 g/mol
LogP2.76
Rot. Bonds5

About (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide (PubChem CID 55943302) has the molecular formula C26H19N3O5 and a molecular weight of 453.45 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide
PubChem CID55943302
Molecular FormulaC26H19N3O5
Molecular Weight453.45 g/mol
Exact Mass453.13
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide
SMILESCN1C(=O)c2ccc(NC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2C1=O
InChIInChI=1S/C26H19N3O5/c1-28-23(31)19-12-11-16(14-20(19)24(28)32)27-22(30)21(13-15-7-3-2-4-8-15)29-25(33)17-9-5-6-10-18(17)26(29)34/h2-12,14,21H,13H2,1H3,(H,27,30)/t21-/m0/s1
InChIKeyPBSARGZPOXAXRD-NRFANRHFSA-N
XLogP2.76
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-fluorophenyl)-3-phenylpropanamide
CID 1076059
(2S)-N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1181271
(2R)-N-(3,5-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 1189000
N-[4-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]phenyl]-3-methylbutanamide
CID 46603850
N-[4-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]phenyl]furan-2-carboxamide
CID 46509472
2-[5-(octanoylamino)-1,3-dioxoisoindol-2-yl]-3-phenylpropanoic acid
CID 76703678
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methylphenoxy)phenyl]-3-phenylpropanamide
CID 41178612
(2R)-N-(2-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 985938
2-(1,3-dioxoisoindol-2-yl)-N-methoxy-3-phenylpropanamide
CID 118343365
2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
CID 110732693
2-[[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]benzoic acid
CID 1272939
N-(2-aminoethyl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
CID 19739690

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide (CID 55943302) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide is CN1C(=O)c2ccc(NC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)cc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide?
The InChIKey is PBSARGZPOXAXRD-NRFANRHFSA-N. The full InChI is InChI=1S/C26H19N3O5/c1-28-23(31)19-12-11-16(14-20(19)24(28)32)27-22(30)21(13-15-7-3-2-4-8-15)29-25(33)17-9-5-6-10-18(17)26(29)34/h2-12,14,21H,13H2,1H3,(H,27,30)/t21-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide has a molecular weight of 453.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 55943302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).