N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide

C17H16N2O4 — CID 804732

IUPACN-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)c3ccco3)cc2C1=O
InChIInChI=1S/C17H16N2O4/c1-10(2)9-19-16(21)12-6-5-11(8-13(12)17(19)22)18-15(20)14-4-3-7-23-14/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyXNNCLZGGVOMKIW-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.78
Rot. Bonds4

About N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide

N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide (PubChem CID 804732) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide
PubChem CID804732
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(NC(=O)c3ccco3)cc2C1=O
InChIInChI=1S/C17H16N2O4/c1-10(2)9-19-16(21)12-6-5-11(8-13(12)17(19)22)18-15(20)14-4-3-7-23-14/h3-8,10H,9H2,1-2H3,(H,18,20)
InChIKeyXNNCLZGGVOMKIW-UHFFFAOYSA-N
XLogP2.78
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide (CID 804732) is N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide is CC(C)CN1C(=O)c2ccc(NC(=O)c3ccco3)cc2C1=O.
What is the InChIKey of N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide?
The InChIKey is XNNCLZGGVOMKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-10(2)9-19-16(21)12-6-5-11(8-13(12)17(19)22)18-15(20)14-4-3-7-23-14/h3-8,10H,9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide?
N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 804732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).