ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate

C24H26N2O7 — CID 55726676

IUPACethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC
InChIInChI=1S/C24H26N2O7/c1-4-33-21(27)15-25(11-12-31-2)22(28)19-13-16(9-10-20(19)32-3)14-26-23(29)17-7-5-6-8-18(17)24(26)30/h5-10,13H,4,11-12,14-15H2,1-3H3
InChIKeyGMVKQVDHYZCFGK-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.14
Rot. Bonds10

About ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate

ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate (PubChem CID 55726676) has the molecular formula C24H26N2O7 and a molecular weight of 454.48 g/mol. Its IUPAC name is ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate
PubChem CID55726676
Molecular FormulaC24H26N2O7
Molecular Weight454.48 g/mol
Exact Mass454.17
IUPAC Nameethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC
InChIInChI=1S/C24H26N2O7/c1-4-33-21(27)15-25(11-12-31-2)22(28)19-13-16(9-10-20(19)32-3)14-26-23(29)17-7-5-6-8-18(17)24(26)30/h5-10,13H,4,11-12,14-15H2,1-3H3
InChIKeyGMVKQVDHYZCFGK-UHFFFAOYSA-N
XLogP2.14
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate (CID 55726676) is ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC.
What is the InChIKey of ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate?
The InChIKey is GMVKQVDHYZCFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7/c1-4-33-21(27)15-25(11-12-31-2)22(28)19-13-16(9-10-20(19)32-3)14-26-23(29)17-7-5-6-8-18(17)24(26)30/h5-10,13H,4,11-12,14-15H2,1-3H3.
What are the key properties of ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate?
ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate has a molecular weight of 454.48 g/mol, XLogP of 2.14, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 55726676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).