[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate

C20H20N2O6 — CID 9363385

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
SMILESCN(Cc1ccco1)C(=O)COC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O6/c1-21(12-14-6-5-11-27-14)17(23)13-28-18(24)9-4-10-22-19(25)15-7-2-3-8-16(15)20(22)26/h2-3,5-8,11H,4,9-10,12-13H2,1H3
InChIKeyHHYJCMDNDPQVID-UHFFFAOYSA-N
MW384.39 g/mol
LogP1.86
Rot. Bonds8

About [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate (PubChem CID 9363385) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
PubChem CID9363385
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
SMILESCN(Cc1ccco1)C(=O)COC(=O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H20N2O6/c1-21(12-14-6-5-11-27-14)17(23)13-28-18(24)9-4-10-22-19(25)15-7-2-3-8-16(15)20(22)26/h2-3,5-8,11H,4,9-10,12-13H2,1H3
InChIKeyHHYJCMDNDPQVID-UHFFFAOYSA-N
XLogP1.86
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 27739569
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 46819613
2-[3-[furan-2-ylmethyl(methyl)amino]propyl]isoindole-1,3-dione
CID 38146081
ethyl 18-(1,3-dioxoisoindol-2-yl)octadecanoate
CID 70138302
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 18109840
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55325450
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
CID 56806663
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 55998165
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139034
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 7675404
N-benzyl-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(furan-2-ylmethyl)butanamide
CID 37429584
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate (CID 9363385) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate is CN(Cc1ccco1)C(=O)COC(=O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate?
The InChIKey is HHYJCMDNDPQVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-21(12-14-6-5-11-27-14)17(23)13-28-18(24)9-4-10-22-19(25)15-7-2-3-8-16(15)20(22)26/h2-3,5-8,11H,4,9-10,12-13H2,1H3.
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate has a molecular weight of 384.39 g/mol, XLogP of 1.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate is sourced from PubChem (CID 9363385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).