2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate

C20H20N2O4 — CID 10970209

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate
SMILESCC(C(=O)OCCN1C(=O)c2ccccc2C1=O)N(C)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-14(21(2)15-8-4-3-5-9-15)20(25)26-13-12-22-18(23)16-10-6-7-11-17(16)19(22)24/h3-11,14H,12-13H2,1-2H3
InChIKeyCHFBQMWKIUQVKP-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.35
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate (PubChem CID 10970209) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate
PubChem CID10970209
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate
SMILESCC(C(=O)OCCN1C(=O)c2ccccc2C1=O)N(C)c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-14(21(2)15-8-4-3-5-9-15)20(25)26-13-12-22-18(23)16-10-6-7-11-17(16)19(22)24/h3-11,14H,12-13H2,1-2H3
InChIKeyCHFBQMWKIUQVKP-UHFFFAOYSA-N
XLogP2.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 2440290
2-(1,3-dioxoisoindol-2-yl)ethyl (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887042
2-(1,3-dioxoisoindol-2-yl)ethyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7209289
2-(1,3-dioxoisoindol-2-yl)ethyl (2R)-2-(2,2,2-trifluoroethoxy)propanoate
CID 99803552
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(benzenesulfonamido)-3-methylbutanoate
CID 4650761
2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 58120400
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate
CID 7984738
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]propanoic acid
CID 119208715
2-(1,3-dioxoisoindol-2-yl)ethyl 2,3,4,5,6-pentamethylbenzoate
CID 7235473
2-(1,3-dioxoisoindol-2-yl)ethyl 3,3-dimethylbutanoate
CID 52887662
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methylbenzoate
CID 2604663
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate (CID 10970209) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate is CC(C(=O)OCCN1C(=O)c2ccccc2C1=O)N(C)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate?
The InChIKey is CHFBQMWKIUQVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-14(21(2)15-8-4-3-5-9-15)20(25)26-13-12-22-18(23)16-10-6-7-11-17(16)19(22)24/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate has a molecular weight of 352.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate is sourced from PubChem (CID 10970209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).