N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide

C16H22N4O2 — CID 98829133

IUPACN,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide
SMILESO=C(N/N=C1/C[C@H]2CC[C@H]1C2)C(=O)N/N=C1/C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H22N4O2/c21-15(19-17-13-7-9-1-3-11(13)5-9)16(22)20-18-14-8-10-2-4-12(14)6-10/h9-12H,1-8H2,(H,19,21)(H,20,22)/b17-13-,18-14-/t9-,10-,11-,12-/m0/s1
InChIKeyOQLAOXNDCYBUFL-XWDMJMHSSA-N
MW302.38 g/mol
LogP1.57
Rot. Bonds2

About N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide

N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide (PubChem CID 98829133) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide
PubChem CID98829133
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide
SMILESO=C(N/N=C1/C[C@H]2CC[C@H]1C2)C(=O)N/N=C1/C[C@H]2CC[C@H]1C2
InChIInChI=1S/C16H22N4O2/c21-15(19-17-13-7-9-1-3-11(13)5-9)16(22)20-18-14-8-10-2-4-12(14)6-10/h9-12H,1-8H2,(H,19,21)(H,20,22)/b17-13-,18-14-/t9-,10-,11-,12-/m0/s1
InChIKeyOQLAOXNDCYBUFL-XWDMJMHSSA-N
XLogP1.57
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.57
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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Related Compounds

N-(2-bicyclo[2.2.1]heptanylideneamino)cyclopropanecarboxamide
CID 4090822
N-[[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-4-hydroxybenzamide
CID 129431579
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzamide
CID 4141533
N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-2-methoxybenzamide
CID 98289762
N-[(E)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-4-(dimethylamino)benzamide
CID 28742334
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-(dimethylamino)benzamide
CID 3343667
N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 98111329
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 98475772
N-(2-bicyclo[2.2.1]heptanylideneamino)-4-methoxybenzamide
CID 4251233
N-[(Z)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-3-chlorobenzamide
CID 40554029
N-[(E)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]amino]-5-methylthiophene-3-carboxamide
CID 27451247
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]-3,4,5-trimethoxybenzamide
CID 7308879

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide?
The IUPAC name of N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide (CID 98829133) is N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide.
What is the SMILES notation for N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide?
The canonical SMILES for N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide is O=C(N/N=C1/C[C@H]2CC[C@H]1C2)C(=O)N/N=C1/C[C@H]2CC[C@H]1C2.
What is the InChIKey of N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide?
The InChIKey is OQLAOXNDCYBUFL-XWDMJMHSSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(19-17-13-7-9-1-3-11(13)5-9)16(22)20-18-14-8-10-2-4-12(14)6-10/h9-12H,1-8H2,(H,19,21)(H,20,22)/b17-13-,18-14-/t9-,10-,11-,12-/m0/s1.
What are the key properties of N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide?
N,N'-bis[(Z)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide has a molecular weight of 302.38 g/mol, XLogP of 1.57, 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)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]oxamide is sourced from PubChem (CID 98829133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).