2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide

C20H32N2O2 — CID 20589072

IUPAC2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide
SMILESCCN(CC)C(=O)C1=C(C(=O)N(CC)CC)C2(C)C(C)=C(C)C12C
InChIInChI=1S/C20H32N2O2/c1-9-21(10-2)17(23)15-16(18(24)22(11-3)12-4)20(8)14(6)13(5)19(15,20)7/h9-12H2,1-8H3
InChIKeySRASUOHMHRQVQJ-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.40
Rot. Bonds6

About 2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide

2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide (PubChem CID 20589072) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide
PubChem CID20589072
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide
SMILESCCN(CC)C(=O)C1=C(C(=O)N(CC)CC)C2(C)C(C)=C(C)C12C
InChIInChI=1S/C20H32N2O2/c1-9-21(10-2)17(23)15-16(18(24)22(11-3)12-4)20(8)14(6)13(5)19(15,20)7/h9-12H2,1-8H3
InChIKeySRASUOHMHRQVQJ-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
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,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide?
The IUPAC name of 2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide (CID 20589072) is 2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide.
What is the SMILES notation for 2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide?
The canonical SMILES for 2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide is CCN(CC)C(=O)C1=C(C(=O)N(CC)CC)C2(C)C(C)=C(C)C12C.
What is the InChIKey of 2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide?
The InChIKey is SRASUOHMHRQVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-9-21(10-2)17(23)15-16(18(24)22(11-3)12-4)20(8)14(6)13(5)19(15,20)7/h9-12H2,1-8H3.
What are the key properties of 2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide?
2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-N,3-N-tetraethyl-1,4,5,6-tetramethylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide is sourced from PubChem (CID 20589072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).