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

C24H20N2O7 — CID 166435048

IUPACmethyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)ccc1OC
InChIInChI=1S/C24H20N2O7/c1-31-20-8-5-14(10-19(20)24(30)32-2)12-25-21(27)15-6-7-17-18(11-15)23(29)26(22(17)28)13-16-4-3-9-33-16/h3-11H,12-13H2,1-2H3,(H,25,27)
InChIKeyNFXFVSHHNUSLMY-UHFFFAOYSA-N
MW448.43 g/mol
LogP2.80
Rot. Bonds7

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

methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate (PubChem CID 166435048) has the molecular formula C24H20N2O7 and a molecular weight of 448.43 g/mol. Its IUPAC name is methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate
PubChem CID166435048
Molecular FormulaC24H20N2O7
Molecular Weight448.43 g/mol
Exact Mass448.13
IUPAC Namemethyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)ccc1OC
InChIInChI=1S/C24H20N2O7/c1-31-20-8-5-14(10-19(20)24(30)32-2)12-25-21(27)15-6-7-17-18(11-15)23(29)26(22(17)28)13-16-4-3-9-33-16/h3-11H,12-13H2,1-2H3,(H,25,27)
InChIKeyNFXFVSHHNUSLMY-UHFFFAOYSA-N
XLogP2.80
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

methyl 4-[2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]ethyl]benzoate
CID 55513783
5-[(1,3-dioxoisoindol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxybenzamide
CID 9314148
2-(furan-2-ylmethyl)-1,3-dioxo-N-(thiophen-2-ylmethyl)isoindole-5-carboxamide
CID 31302519
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536
methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate
CID 51265623
(2-methoxyphenyl)methyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 7738829
methyl 5-[[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]methyl]-2-methoxybenzoate
CID 110934897
methyl 3-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]thiophene-2-carboxylate
CID 43013635
(5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 7738814
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
[2-(benzylamino)-2-oxoethyl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 2500126
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate (CID 166435048) is methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)ccc1OC.
What is the InChIKey of methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate?
The InChIKey is NFXFVSHHNUSLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O7/c1-31-20-8-5-14(10-19(20)24(30)32-2)12-25-21(27)15-6-7-17-18(11-15)23(29)26(22(17)28)13-16-4-3-9-33-16/h3-11H,12-13H2,1-2H3,(H,25,27).
What are the key properties of methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate?
methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate has a molecular weight of 448.43 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 166435048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).