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

C24H20N2O6 — CID 4789733

IUPACmethyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C24H20N2O6/c1-31-24(30)20(12-15-6-3-2-4-7-15)25-21(27)16-9-10-18-19(13-16)23(29)26(22(18)28)14-17-8-5-11-32-17/h2-11,13,20H,12,14H2,1H3,(H,25,27)
InChIKeyRMWBDBKXPXFZJJ-UHFFFAOYSA-N
MW432.43 g/mol
LogP2.59
Rot. Bonds7

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

methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate (PubChem CID 4789733) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate
PubChem CID4789733
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Namemethyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C24H20N2O6/c1-31-24(30)20(12-15-6-3-2-4-7-15)25-21(27)16-9-10-18-19(13-16)23(29)26(22(18)28)14-17-8-5-11-32-17/h2-11,13,20H,12,14H2,1H3,(H,25,27)
InChIKeyRMWBDBKXPXFZJJ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Related Compounds

methyl (2S)-2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]-3-phenylpropanoate
CID 38032325
2-benzyl-N-[(1R)-1-(furan-2-yl)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 9482087
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709
N-tert-butyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 839536
methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
CID 14460596
[2-(benzylamino)-2-oxoethyl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 2500126
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 2491051
1-phenylethyl 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 16511063
methyl 3-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]thiophene-2-carboxylate
CID 43013635
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
CID 2490568
2-(furan-2-ylmethyl)-1,3-dioxo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]isoindole-5-carboxamide
CID 86949797
methyl 5-[[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]-2-methoxybenzoate
CID 166435048

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate (CID 4789733) is methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is RMWBDBKXPXFZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6/c1-31-24(30)20(12-15-6-3-2-4-7-15)25-21(27)16-9-10-18-19(13-16)23(29)26(22(18)28)14-17-8-5-11-32-17/h2-11,13,20H,12,14H2,1H3,(H,25,27).
What are the key properties of methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate?
methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 432.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 4789733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).