N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide

C18H20N2O4 — CID 148547397

IUPACN,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide
SMILESCN(C(=O)C1CC2(C)OC1(C)C1C(=O)NC(=O)C12)c1ccccc1
InChIInChI=1S/C18H20N2O4/c1-17-9-11(16(23)20(3)10-7-5-4-6-8-10)18(2,24-17)13-12(17)14(21)19-15(13)22/h4-8,11-13H,9H2,1-3H3,(H,19,21,22)
InChIKeyNRAZJJRYNAZJIK-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.11
Rot. Bonds2

About N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide

N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide (PubChem CID 148547397) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide.

Molecular Properties

Compound NameN,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide
PubChem CID148547397
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide
SMILESCN(C(=O)C1CC2(C)OC1(C)C1C(=O)NC(=O)C12)c1ccccc1
InChIInChI=1S/C18H20N2O4/c1-17-9-11(16(23)20(3)10-7-5-4-6-8-10)18(2,24-17)13-12(17)14(21)19-15(13)22/h4-8,11-13H,9H2,1-3H3,(H,19,21,22)
InChIKeyNRAZJJRYNAZJIK-UHFFFAOYSA-N
XLogP1.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.11
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,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide?
The IUPAC name of N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide (CID 148547397) is N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide.
What is the SMILES notation for N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide?
The canonical SMILES for N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide is CN(C(=O)C1CC2(C)OC1(C)C1C(=O)NC(=O)C12)c1ccccc1.
What is the InChIKey of N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide?
The InChIKey is NRAZJJRYNAZJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-17-9-11(16(23)20(3)10-7-5-4-6-8-10)18(2,24-17)13-12(17)14(21)19-15(13)22/h4-8,11-13H,9H2,1-3H3,(H,19,21,22).
What are the key properties of N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide?
N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,7-trimethyl-1,3-dioxo-N-phenyl-3a,5,6,7a-tetrahydro-4,7-epoxyisoindole-5-carboxamide is sourced from PubChem (CID 148547397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).