2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid

C24H22N2O6 — CID 176715934

IUPAC2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid
SMILESCOc1ccc(CC(=O)Nc2cc(C)cc3c2C(=O)N(Cc2ccco2)C3C(=O)O)cc1
InChIInChI=1S/C24H22N2O6/c1-14-10-18-21(23(28)26(22(18)24(29)30)13-17-4-3-9-32-17)19(11-14)25-20(27)12-15-5-7-16(31-2)8-6-15/h3-11,22H,12-13H2,1-2H3,(H,25,27)(H,29,30)
InChIKeyFOOBLICSQZCIRX-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.56
Rot. Bonds7

About 2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid

2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid (PubChem CID 176715934) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid
PubChem CID176715934
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Name2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid
SMILESCOc1ccc(CC(=O)Nc2cc(C)cc3c2C(=O)N(Cc2ccco2)C3C(=O)O)cc1
InChIInChI=1S/C24H22N2O6/c1-14-10-18-21(23(28)26(22(18)24(29)30)13-17-4-3-9-32-17)19(11-14)25-20(27)12-15-5-7-16(31-2)8-6-15/h3-11,22H,12-13H2,1-2H3,(H,25,27)(H,29,30)
InChIKeyFOOBLICSQZCIRX-UHFFFAOYSA-N
XLogP3.56
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid with MolForge

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Related Compounds

(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113040667
2-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110690707
N-(1-benzyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 71921771
N-(furan-2-ylmethyl)-3-[[2-(4-methoxyphenyl)acetyl]amino]benzamide
CID 17199915
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
2-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 668862
N-[3-[1-[1-[formyl(furan-2-ylmethyl)amino]cyclohexyl]-2-oxoethyl]-2,5-dimethylphenyl]-2-(4-methoxyphenyl)acetamide
CID 176715965
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
N-[4-methoxy-2-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 9324966
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731706
3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108612408

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid?
The IUPAC name of 2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid (CID 176715934) is 2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid.
What is the SMILES notation for 2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid?
The canonical SMILES for 2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid is COc1ccc(CC(=O)Nc2cc(C)cc3c2C(=O)N(Cc2ccco2)C3C(=O)O)cc1.
What is the InChIKey of 2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid?
The InChIKey is FOOBLICSQZCIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c1-14-10-18-21(23(28)26(22(18)24(29)30)13-17-4-3-9-32-17)19(11-14)25-20(27)12-15-5-7-16(31-2)8-6-15/h3-11,22H,12-13H2,1-2H3,(H,25,27)(H,29,30).
What are the key properties of 2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid?
2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid has a molecular weight of 434.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-4-[[2-(4-methoxyphenyl)acetyl]amino]-6-methyl-3-oxo-1H-isoindole-1-carboxylic acid is sourced from PubChem (CID 176715934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).