ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate

C24H26N2O6 — CID 71895374

IUPACethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C24H26N2O6/c1-3-32-21(27)16-25(13-14-31-2)22(28)18-9-10-19-20(15-18)24(30)26(23(19)29)12-11-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyVVJARGNMZMBAHT-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.18
Rot. Bonds10

About ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate

ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate (PubChem CID 71895374) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate
PubChem CID71895374
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Nameethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C24H26N2O6/c1-3-32-21(27)16-25(13-14-31-2)22(28)18-9-10-19-20(15-18)24(30)26(23(19)29)12-11-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyVVJARGNMZMBAHT-UHFFFAOYSA-N
XLogP2.18
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate with MolForge

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26442861
ethyl 2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoyl]-(2-methoxyethyl)amino]acetate
CID 55726676
2-oxopropyl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
CID 2484796
N-[2-(2-methoxyphenyl)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26777955
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 26826321
ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]amino]pyridine-4-carboxylate
CID 108755465
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128
N-(4-acetamidophenyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 27648770
N-(3-hydroxypropyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 78795995
ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 103892104
propan-2-yl 1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxylate
CID 27000100
N-methyl-1,3-dioxo-2-(2-phenylethyl)-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 26558416

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate (CID 71895374) is ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O.
What is the InChIKey of ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate?
The InChIKey is VVJARGNMZMBAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-3-32-21(27)16-25(13-14-31-2)22(28)18-9-10-19-20(15-18)24(30)26(23(19)29)12-11-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3.
What are the key properties of ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate?
ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate has a molecular weight of 438.48 g/mol, XLogP of 2.18, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 71895374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).