N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide

C18H18N2O5 — CID 664218

IUPACN-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O
InChIInChI=1S/C18H18N2O5/c1-24-8-3-7-20-17(22)14-6-5-12(10-15(14)18(20)23)16(21)19-11-13-4-2-9-25-13/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,19,21)
InChIKeyXPNCDBGUXXYPHP-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.84
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide

N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 664218) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID664218
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O
InChIInChI=1S/C18H18N2O5/c1-24-8-3-7-20-17(22)14-6-5-12(10-15(14)18(20)23)16(21)19-11-13-4-2-9-25-13/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,19,21)
InChIKeyXPNCDBGUXXYPHP-UHFFFAOYSA-N
XLogP1.84
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Tert-butyl-N-(2-furylmethyl)benzamide
CID 674888
2-[(Furan-2-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 887709
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(furan-2-ylmethyl)butanamide
CID 2870264
N-(2-Furanylmethyl)-4-methylbenzamide
CID 674887
N-(furan-2-ylmethyl)naphthalene-2-carboxamide
CID 692689
N-(furan-2-ylmethyl)-2,4-dimethylbenzamide
CID 1088346
2-butyl-N-(furan-2-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2667282
2-[(Furan-2-ylmethyl)amino]-2-oxoethyl 3,4-dimethylbenzoate
CID 2715806
N-(2-furylmethyl)-2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 2738408
N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
CID 2929761
N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2974655
N~1~-{3-[(2-Furylmethyl)amino]-3-oxopropyl}-4-methylbenzamide
CID 2978176

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide (CID 664218) is N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide is COCCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is XPNCDBGUXXYPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-24-8-3-7-20-17(22)14-6-5-12(10-15(14)18(20)23)16(21)19-11-13-4-2-9-25-13/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide?
N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 664218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).