[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate

C24H19N3O7 — CID 55547063

IUPAC[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate
SMILESCN1C(=O)c2ccc(NC(=O)COC(=O)C(NC(=O)c3ccco3)c3ccccc3)cc2C1=O
InChIInChI=1S/C24H19N3O7/c1-27-22(30)16-10-9-15(12-17(16)23(27)31)25-19(28)13-34-24(32)20(14-6-3-2-4-7-14)26-21(29)18-8-5-11-33-18/h2-12,20H,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyWLJHEQIQQIMCJR-UHFFFAOYSA-N
MW461.43 g/mol
LogP2.16
Rot. Bonds7

About [2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate

[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate (PubChem CID 55547063) has the molecular formula C24H19N3O7 and a molecular weight of 461.43 g/mol. Its IUPAC name is [2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate.

Molecular Properties

Compound Name[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate
PubChem CID55547063
Molecular FormulaC24H19N3O7
Molecular Weight461.43 g/mol
Exact Mass461.12
IUPAC Name[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate
SMILESCN1C(=O)c2ccc(NC(=O)COC(=O)C(NC(=O)c3ccco3)c3ccccc3)cc2C1=O
InChIInChI=1S/C24H19N3O7/c1-27-22(30)16-10-9-15(12-17(16)23(27)31)25-19(28)13-34-24(32)20(14-6-3-2-4-7-14)26-21(29)18-8-5-11-33-18/h2-12,20H,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyWLJHEQIQQIMCJR-UHFFFAOYSA-N
XLogP2.16
TPSA135.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate 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

[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 3-phenylfuran-2-carboxylate
CID 38904459
ethyl 5-ethyl-2-[[2-[2-(furan-2-carbonylamino)-2-phenylacetyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 55547524
(2-anilino-2-oxoethyl) (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7565951
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 55378773
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate
CID 32690162
[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate
CID 55546635
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575597
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55306477
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 32744629
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 55934561
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(4-bromophenoxy)propanoate
CID 55378617

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate?
The IUPAC name of [2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate (CID 55547063) is [2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate.
What is the SMILES notation for [2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate?
The canonical SMILES for [2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate is CN1C(=O)c2ccc(NC(=O)COC(=O)C(NC(=O)c3ccco3)c3ccccc3)cc2C1=O.
What is the InChIKey of [2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate?
The InChIKey is WLJHEQIQQIMCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O7/c1-27-22(30)16-10-9-15(12-17(16)23(27)31)25-19(28)13-34-24(32)20(14-6-3-2-4-7-14)26-21(29)18-8-5-11-33-18/h2-12,20H,13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of [2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate?
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate has a molecular weight of 461.43 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 2-(furan-2-carbonylamino)-2-phenylacetate is sourced from PubChem (CID 55547063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).