2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide

C19H18N2O5 — CID 7394298

IUPAC2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C19H18N2O5/c22-17(20-10-13-3-1-7-25-13)12-5-6-15-16(9-12)19(24)21(18(15)23)11-14-4-2-8-26-14/h2,4-6,8-9,13H,1,3,7,10-11H2,(H,20,22)/t13-/m0/s1
InChIKeyZMRYTAGYBXNINB-ZDUSSCGKSA-N
MW354.36 g/mol
LogP1.98
Rot. Bonds5

About 2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide

2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide (PubChem CID 7394298) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
PubChem CID7394298
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C19H18N2O5/c22-17(20-10-13-3-1-7-25-13)12-5-6-15-16(9-12)19(24)21(18(15)23)11-14-4-2-8-26-14/h2,4-6,8-9,13H,1,3,7,10-11H2,(H,20,22)/t13-/m0/s1
InChIKeyZMRYTAGYBXNINB-ZDUSSCGKSA-N
XLogP1.98
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide 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

N-cyclohexyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2452442
1,3-dioxo-N-(oxolan-2-ylmethyl)-2-prop-2-enylisoindole-5-carboxamide
CID 18083848
1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]isoindole-5-carboxamide
CID 28958348
2-(3-methylbutyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 1262348
1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]isoindole-5-carboxamide
CID 41340050
N-(cyclobutylmethyl)-1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 38656070
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548
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
2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylic acid
CID 887709
2-(2,3-dimethylphenyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide
CID 28924798
2-naphthalen-1-yl-1,3-dioxo-N-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 3760785

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide?
The IUPAC name of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide (CID 7394298) is 2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide is O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide?
The InChIKey is ZMRYTAGYBXNINB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-17(20-10-13-3-1-7-25-13)12-5-6-15-16(9-12)19(24)21(18(15)23)11-14-4-2-8-26-14/h2,4-6,8-9,13H,1,3,7,10-11H2,(H,20,22)/t13-/m0/s1.
What are the key properties of 2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide?
2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1,3-dioxo-N-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxamide is sourced from PubChem (CID 7394298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).