N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide

C16H26N4O2 — CID 40543084

IUPACN,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
SMILESC[C@@H]1CCC/C(=N/NC(=O)C(=O)N/N=C2/CCC[C@@H](C)C2)C1
InChIInChI=1S/C16H26N4O2/c1-11-5-3-7-13(9-11)17-19-15(21)16(22)20-18-14-8-4-6-12(2)10-14/h11-12H,3-10H2,1-2H3,(H,19,21)(H,20,22)/b17-13-,18-14-/t11-,12-/m1/s1
InChIKeyYZOLEUJPTISMDY-UJAIGFOJSA-N
MW306.41 g/mol
LogP2.35
Rot. Bonds2

About N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide

N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide (PubChem CID 40543084) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
PubChem CID40543084
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide
SMILESC[C@@H]1CCC/C(=N/NC(=O)C(=O)N/N=C2/CCC[C@@H](C)C2)C1
InChIInChI=1S/C16H26N4O2/c1-11-5-3-7-13(9-11)17-19-15(21)16(22)20-18-14-8-4-6-12(2)10-14/h11-12H,3-10H2,1-2H3,(H,19,21)(H,20,22)/b17-13-,18-14-/t11-,12-/m1/s1
InChIKeyYZOLEUJPTISMDY-UJAIGFOJSA-N
XLogP2.35
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.35
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide?
The IUPAC name of N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide (CID 40543084) is N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide.
What is the SMILES notation for N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide?
The canonical SMILES for N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide is C[C@@H]1CCC/C(=N/NC(=O)C(=O)N/N=C2/CCC[C@@H](C)C2)C1.
What is the InChIKey of N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide?
The InChIKey is YZOLEUJPTISMDY-UJAIGFOJSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-5-3-7-13(9-11)17-19-15(21)16(22)20-18-14-8-4-6-12(2)10-14/h11-12H,3-10H2,1-2H3,(H,19,21)(H,20,22)/b17-13-,18-14-/t11-,12-/m1/s1.
What are the key properties of N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide?
N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide has a molecular weight of 306.41 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-[(3R)-3-methylcyclohexylidene]amino]oxamide is sourced from PubChem (CID 40543084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).