2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate

C21H20N2O6 — CID 2548047

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H20N2O6/c1-2-28-17-10-6-5-9-16(17)19(25)22-13-18(24)29-12-11-23-20(26)14-7-3-4-8-15(14)21(23)27/h3-10H,2,11-13H2,1H3,(H,22,25)
InChIKeyNBTLDLHDBHOABD-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.65
Rot. Bonds8

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 2548047) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID2548047
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H20N2O6/c1-2-28-17-10-6-5-9-16(17)19(25)22-13-18(24)29-12-11-23-20(26)14-7-3-4-8-15(14)21(23)27/h3-10H,2,11-13H2,1H3,(H,22,25)
InChIKeyNBTLDLHDBHOABD-UHFFFAOYSA-N
XLogP1.65
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dioxoisoindol-2-yl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807779
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(thiophene-2-carbonylamino)acetate
CID 7808070
2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807719
2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16526656
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-ethoxyphenoxy)acetate
CID 7606197
(2-methylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807817
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenoxyethoxy)benzoate
CID 4537323
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807753
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2547953

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 2548047) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is NBTLDLHDBHOABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-2-28-17-10-6-5-9-16(17)19(25)22-13-18(24)29-12-11-23-20(26)14-7-3-4-8-15(14)21(23)27/h3-10H,2,11-13H2,1H3,(H,22,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 396.40 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2548047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).