2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

C17H28N2O2 — CID 18622239

IUPAC2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESCCNC(=O)C1(CC)C2C=CC(C2)C1(CC)C(=O)NCC
InChIInChI=1S/C17H28N2O2/c1-5-16(14(20)18-7-3)12-9-10-13(11-12)17(16,6-2)15(21)19-8-4/h9-10,12-13H,5-8,11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyGJPYVJNVGZRHTL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.26
Rot. Bonds6

About 2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide

2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (PubChem CID 18622239) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
PubChem CID18622239
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
SMILESCCNC(=O)C1(CC)C2C=CC(C2)C1(CC)C(=O)NCC
InChIInChI=1S/C17H28N2O2/c1-5-16(14(20)18-7-3)12-9-10-13(11-12)17(16,6-2)15(21)19-8-4/h9-10,12-13H,5-8,11H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyGJPYVJNVGZRHTL-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The IUPAC name of 2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide (CID 18622239) is 2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide.
What is the SMILES notation for 2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The canonical SMILES for 2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is CCNC(=O)C1(CC)C2C=CC(C2)C1(CC)C(=O)NCC.
What is the InChIKey of 2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
The InChIKey is GJPYVJNVGZRHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-16(14(20)18-7-3)12-9-10-13(11-12)17(16,6-2)15(21)19-8-4/h9-10,12-13H,5-8,11H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide?
2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide has a molecular weight of 292.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N,2,3-tetraethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide is sourced from PubChem (CID 18622239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).