N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide

C21H28N4O2 — CID 42554314

IUPACN-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C1/C[C@@H]2CC=C[C@@H]12)N/N=C1/C[C@H]2CC=C[C@H]12
InChIInChI=1S/C21H28N4O2/c26-20(24-22-18-12-14-6-4-8-16(14)18)10-2-1-3-11-21(27)25-23-19-13-15-7-5-9-17(15)19/h4-5,8-9,14-17H,1-3,6-7,10-13H2,(H,24,26)(H,25,27)/b22-18-,23-19-/t14-,15+,16+,17-
InChIKeySXKAAWNQVZBUID-RYPCFVRRSA-N
MW368.48 g/mol
LogP3.07
Rot. Bonds8

About N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide

N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide (PubChem CID 42554314) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide
PubChem CID42554314
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide
SMILESO=C(CCCCCC(=O)N/N=C1/C[C@@H]2CC=C[C@@H]12)N/N=C1/C[C@H]2CC=C[C@H]12
InChIInChI=1S/C21H28N4O2/c26-20(24-22-18-12-14-6-4-8-16(14)18)10-2-1-3-11-21(27)25-23-19-13-15-7-5-9-17(15)19/h4-5,8-9,14-17H,1-3,6-7,10-13H2,(H,24,26)(H,25,27)/b22-18-,23-19-/t14-,15+,16+,17-
InChIKeySXKAAWNQVZBUID-RYPCFVRRSA-N
XLogP3.07
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide?
The IUPAC name of N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide (CID 42554314) is N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide.
What is the SMILES notation for N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide?
The canonical SMILES for N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide is O=C(CCCCCC(=O)N/N=C1/C[C@@H]2CC=C[C@@H]12)N/N=C1/C[C@H]2CC=C[C@H]12.
What is the InChIKey of N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide?
The InChIKey is SXKAAWNQVZBUID-RYPCFVRRSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20(24-22-18-12-14-6-4-8-16(14)18)10-2-1-3-11-21(27)25-23-19-13-15-7-5-9-17(15)19/h4-5,8-9,14-17H,1-3,6-7,10-13H2,(H,24,26)(H,25,27)/b22-18-,23-19-/t14-,15+,16+,17-.
What are the key properties of N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide?
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide has a molecular weight of 368.48 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-N'-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]heptanediamide is sourced from PubChem (CID 42554314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).