2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate

C25H20N2O5 — CID 2440290

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCN(C(=O)c1ccccc1C(=O)OCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C25H20N2O5/c1-26(17-9-3-2-4-10-17)22(28)20-13-7-8-14-21(20)25(31)32-16-15-27-23(29)18-11-5-6-12-19(18)24(27)30/h2-14H,15-16H2,1H3
InChIKeyHHHARKNYSDAYFA-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.42
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate (PubChem CID 2440290) has the molecular formula C25H20N2O5 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate
PubChem CID2440290
Molecular FormulaC25H20N2O5
Molecular Weight428.44 g/mol
Exact Mass428.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCN(C(=O)c1ccccc1C(=O)OCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C25H20N2O5/c1-26(17-9-3-2-4-10-17)22(28)20-13-7-8-14-21(20)25(31)32-16-15-27-23(29)18-11-5-6-12-19(18)24(27)30/h2-14H,15-16H2,1H3
InChIKeyHHHARKNYSDAYFA-UHFFFAOYSA-N
XLogP3.42
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.42
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-methylbenzoate
CID 2604663
2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate
CID 5145140
heptyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 91720801
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate
CID 10970209
2-(1,3-dioxoisoindol-2-yl)ethyl 2,3,4,5,6-pentamethylbenzoate
CID 7235473
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenoxyethoxy)benzoate
CID 4537323
2-(1,3-dioxoisoindol-2-yl)ethyl 2,4-dimethylbenzoate
CID 2544102
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-3-nitrobenzoate
CID 2564560
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 46543957
2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenylsulfanylpyridine-3-carboxylate
CID 16515071
(4-carbamoylphenyl)methyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 26962039
2-(1,3-dioxoisoindol-2-yl)ethyl 1-ethylindole-3-carboxylate
CID 46640718

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate (CID 2440290) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate is CN(C(=O)c1ccccc1C(=O)OCCN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate?
The InChIKey is HHHARKNYSDAYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O5/c1-26(17-9-3-2-4-10-17)22(28)20-13-7-8-14-21(20)25(31)32-16-15-27-23(29)18-11-5-6-12-19(18)24(27)30/h2-14H,15-16H2,1H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate has a molecular weight of 428.44 g/mol, XLogP of 3.42, 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-[methyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 2440290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).