N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide

C16H22N4O2 — CID 7809782

IUPACN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide
SMILESO=C(N/N=C\[C@@H]1CC=CCC1)C(=O)N/N=C\[C@H]1CC=CCC1
InChIInChI=1S/C16H22N4O2/c21-15(19-17-11-13-7-3-1-4-8-13)16(22)20-18-12-14-9-5-2-6-10-14/h1-3,5,11-14H,4,6-10H2,(H,19,21)(H,20,22)/b17-11-,18-12-/t13-,14+
InChIKeyUQXIGTNZDICMJB-PZYVQDCKSA-N
MW302.38 g/mol
LogP1.90
Rot. Bonds4

About N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide

N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide (PubChem CID 7809782) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide
PubChem CID7809782
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide
SMILESO=C(N/N=C\[C@@H]1CC=CCC1)C(=O)N/N=C\[C@H]1CC=CCC1
InChIInChI=1S/C16H22N4O2/c21-15(19-17-11-13-7-3-1-4-8-13)16(22)20-18-12-14-9-5-2-6-10-14/h1-3,5,11-14H,4,6-10H2,(H,19,21)(H,20,22)/b17-11-,18-12-/t13-,14+
InChIKeyUQXIGTNZDICMJB-PZYVQDCKSA-N
XLogP1.90
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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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Related Compounds

N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-N-propan-2-yloxamide
CID 9351479
[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]thiourea
CID 7750219
N-(cyclohex-3-en-1-ylmethylideneamino)hexanamide
CID 5053331
1-[(E)-cyclohex-3-en-1-ylmethylideneamino]-3-methylthiourea
CID 110337362
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]octanamide
CID 98462475
methyl N-[(E)-cyclohex-3-en-1-ylmethylideneamino]carbamodithioate
CID 170856160
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 5390946
5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
CID 6744568
1-(cyclohex-3-en-1-ylmethylideneamino)-3-propan-2-ylthiourea
CID 3609168
N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide
CID 2847162
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-nitrobenzamide
CID 6544583
N-(cyclohex-3-en-1-ylmethylideneamino)-2-(4-fluoroanilino)acetamide
CID 3570493

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide?
The IUPAC name of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide (CID 7809782) is N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide.
What is the SMILES notation for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide?
The canonical SMILES for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide is O=C(N/N=C\[C@@H]1CC=CCC1)C(=O)N/N=C\[C@H]1CC=CCC1.
What is the InChIKey of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide?
The InChIKey is UQXIGTNZDICMJB-PZYVQDCKSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(19-17-11-13-7-3-1-4-8-13)16(22)20-18-12-14-9-5-2-6-10-14/h1-3,5,11-14H,4,6-10H2,(H,19,21)(H,20,22)/b17-11-,18-12-/t13-,14+.
What are the key properties of N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide?
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide has a molecular weight of 302.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-N'-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]oxamide is sourced from PubChem (CID 7809782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).