1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide

C18H28N2O2 — CID 59850864

IUPAC1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide
SMILESCCCNC(=O)C1=C(C(=O)NCCC)C2(C)C(C)=C(C)C12C
InChIInChI=1S/C18H28N2O2/c1-7-9-19-15(21)13-14(16(22)20-10-8-2)18(6)12(4)11(3)17(13,18)5/h7-10H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyNZWFDKVLMFKGTQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.71
Rot. Bonds6

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

1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide (PubChem CID 59850864) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide.

Molecular Properties

Compound Name1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide
PubChem CID59850864
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide
SMILESCCCNC(=O)C1=C(C(=O)NCCC)C2(C)C(C)=C(C)C12C
InChIInChI=1S/C18H28N2O2/c1-7-9-19-15(21)13-14(16(22)20-10-8-2)18(6)12(4)11(3)17(13,18)5/h7-10H2,1-6H3,(H,19,21)(H,20,22)
InChIKeyNZWFDKVLMFKGTQ-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide?
The IUPAC name of 1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide (CID 59850864) is 1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide.
What is the SMILES notation for 1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide?
The canonical SMILES for 1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide is CCCNC(=O)C1=C(C(=O)NCCC)C2(C)C(C)=C(C)C12C.
What is the InChIKey of 1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide?
The InChIKey is NZWFDKVLMFKGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-7-9-19-15(21)13-14(16(22)20-10-8-2)18(6)12(4)11(3)17(13,18)5/h7-10H2,1-6H3,(H,19,21)(H,20,22).
What are the key properties of 1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide?
1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetramethyl-2-N,3-N-dipropylbicyclo[2.2.0]hexa-2,5-diene-2,3-dicarboxamide is sourced from PubChem (CID 59850864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).