methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate

C24H20N2O6 — CID 55513783

IUPACmethyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1
InChIInChI=1S/C24H20N2O6/c1-31-24(30)16-6-4-15(5-7-16)10-11-25-21(27)17-8-9-19-20(13-17)23(29)26(22(19)28)14-18-3-2-12-32-18/h2-9,12-13H,10-11,14H2,1H3,(H,25,27)
InChIKeyVLRANVXYIMUVNV-UHFFFAOYSA-N
MW432.43 g/mol
LogP2.83
Rot. Bonds7

About methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate

methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate (PubChem CID 55513783) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate
PubChem CID55513783
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Namemethyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1
InChIInChI=1S/C24H20N2O6/c1-31-24(30)16-6-4-15(5-7-16)10-11-25-21(27)17-8-9-19-20(13-17)23(29)26(22(19)28)14-18-3-2-12-32-18/h2-9,12-13H,10-11,14H2,1H3,(H,25,27)
InChIKeyVLRANVXYIMUVNV-UHFFFAOYSA-N
XLogP2.83
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate with MolForge

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Related Compounds

methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate
CID 166435048
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536
methyl 3-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]thiophene-2-carboxylate
CID 43013635
2-(furan-2-ylmethyl)-1,3-dioxo-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 31302519
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709
2-(furan-2-ylmethyl)-1,3-dioxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]isoindole-5-carboxamide
CID 51578753
methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate
CID 4789733
N-(2,5-dimethylphenyl)-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 26909352
[2-(benzylamino)-2-oxoethyl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 2500126
N-cyclohexyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2452442
N-[(4-chlorophenyl)methyl]-2-(furan-2-ylmethyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 31987257
methyl 1-[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 55515344

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate (CID 55513783) is methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate is COC(=O)c1ccc(CCNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1.
What is the InChIKey of methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate?
The InChIKey is VLRANVXYIMUVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6/c1-31-24(30)16-6-4-15(5-7-16)10-11-25-21(27)17-8-9-19-20(13-17)23(29)26(22(19)28)14-18-3-2-12-32-18/h2-9,12-13H,10-11,14H2,1H3,(H,25,27).
What are the key properties of methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate?
methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate has a molecular weight of 432.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate is sourced from PubChem (CID 55513783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).