N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide

C18H22N4O2 — CID 3298786

IUPACN,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide
SMILESO=C(CCC(=O)NN=C1CC2CC=CC12)NN=C1CC2CC=CC12
InChIInChI=1S/C18H22N4O2/c23-17(21-19-15-9-11-3-1-5-13(11)15)7-8-18(24)22-20-16-10-12-4-2-6-14(12)16/h1-2,5-6,11-14H,3-4,7-10H2,(H,21,23)(H,22,24)
InChIKeyFPNBGHWYIAPUGB-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.90
Rot. Bonds5

About N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide

N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide (PubChem CID 3298786) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide.

Molecular Properties

Compound NameN,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide
PubChem CID3298786
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide
SMILESO=C(CCC(=O)NN=C1CC2CC=CC12)NN=C1CC2CC=CC12
InChIInChI=1S/C18H22N4O2/c23-17(21-19-15-9-11-3-1-5-13(11)15)7-8-18(24)22-20-16-10-12-4-2-6-14(12)16/h1-2,5-6,11-14H,3-4,7-10H2,(H,21,23)(H,22,24)
InChIKeyFPNBGHWYIAPUGB-UHFFFAOYSA-N
XLogP1.90
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide?
The IUPAC name of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide (CID 3298786) is N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide.
What is the SMILES notation for N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide?
The canonical SMILES for N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide is O=C(CCC(=O)NN=C1CC2CC=CC12)NN=C1CC2CC=CC12.
What is the InChIKey of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide?
The InChIKey is FPNBGHWYIAPUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(21-19-15-9-11-3-1-5-13(11)15)7-8-18(24)22-20-16-10-12-4-2-6-14(12)16/h1-2,5-6,11-14H,3-4,7-10H2,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide?
N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide has a molecular weight of 326.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(6-bicyclo[3.2.0]hept-3-enylideneamino)butanediamide is sourced from PubChem (CID 3298786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).