[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate

C24H23N3O6 — CID 30393806

IUPAC[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1)C2=O
InChIInChI=1S/C24H23N3O6/c1-14-6-9-16-18(12-14)24(32)27(23(16)31)11-10-21(29)33-13-20(28)26-19-5-3-2-4-17(19)22(30)25-15-7-8-15/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,25,30)(H,26,28)
InChIKeyNCIZLMIUFPKCRL-UHFFFAOYSA-N
MW449.46 g/mol
LogP2.06
Rot. Bonds8

About [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate

[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 30393806) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
PubChem CID30393806
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1)C2=O
InChIInChI=1S/C24H23N3O6/c1-14-6-9-16-18(12-14)24(32)27(23(16)31)11-10-21(29)33-13-20(28)26-19-5-3-2-4-17(19)22(30)25-15-7-8-15/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,25,30)(H,26,28)
InChIKeyNCIZLMIUFPKCRL-UHFFFAOYSA-N
XLogP2.06
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate 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-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 27926933
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8658042
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 9114369
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8535606
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815364
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 9061901
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55375282
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364162
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)propanoate
CID 55473476
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 16603315
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 4855857
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 30391713

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate (CID 30393806) is [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate is Cc1ccc2c(c1)C(=O)N(CCC(=O)OCC(=O)Nc1ccccc1C(=O)NC1CC1)C2=O.
What is the InChIKey of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is NCIZLMIUFPKCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O6/c1-14-6-9-16-18(12-14)24(32)27(23(16)31)11-10-21(29)33-13-20(28)26-19-5-3-2-4-17(19)22(30)25-15-7-8-15/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,25,30)(H,26,28).
What are the key properties of [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate?
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 449.46 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 30393806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).