N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide

C18H22N4O2 — CID 124764212

IUPACN,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide
SMILESO=C(N/N=C\[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)N/N=C\[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C18H22N4O2/c23-17(21-19-9-15-7-11-1-3-13(15)5-11)18(24)22-20-10-16-8-12-2-4-14(16)6-12/h1-4,9-16H,5-8H2,(H,21,23)(H,22,24)/b19-9-,20-10-/t11-,12-,13-,14-,15+,16+/m0/s1
InChIKeyNGTNPOWMSTVRGR-LFLZXYCLSA-N
MW326.40 g/mol
LogP1.61
Rot. Bonds4

About N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide

N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide (PubChem CID 124764212) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide
PubChem CID124764212
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide
SMILESO=C(N/N=C\[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)N/N=C\[C@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C18H22N4O2/c23-17(21-19-9-15-7-11-1-3-13(15)5-11)18(24)22-20-10-16-8-12-2-4-14(16)6-12/h1-4,9-16H,5-8H2,(H,21,23)(H,22,24)/b19-9-,20-10-/t11-,12-,13-,14-,15+,16+/m0/s1
InChIKeyNGTNPOWMSTVRGR-LFLZXYCLSA-N
XLogP1.61
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.61
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

5-N-[(Z)-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]furan-2,5-dicarboxamide
CID 100806317
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]benzamide
CID 98153779
ethyl N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)carbamate
CID 3286698
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-hydroxybenzamide
CID 40554147
N-[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chlorobenzamide
CID 22524953
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-2-hydroxy-2,2-diphenylacetamide
CID 4087738
N-[(Z)-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 7310058
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-4-propan-2-ylbenzamide
CID 590348
N-[(Z)-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 5454793
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)naphthalene-1-carboxamide
CID 5122775
N-[(Z)-[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]-4-chloro-2-hydroxybenzamide
CID 98299806
N-(2-bicyclo[2.2.1]hept-5-enylmethylideneamino)-3,4,5-trimethoxybenzamide
CID 3713434

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide (CID 124764212) is N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide is O=C(N/N=C\[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)N/N=C\[C@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide?
The InChIKey is NGTNPOWMSTVRGR-LFLZXYCLSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(21-19-9-15-7-11-1-3-13(15)5-11)18(24)22-20-10-16-8-12-2-4-14(16)6-12/h1-4,9-16H,5-8H2,(H,21,23)(H,22,24)/b19-9-,20-10-/t11-,12-,13-,14-,15+,16+/m0/s1.
What are the key properties of N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide?
N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide has a molecular weight of 326.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylideneamino]oxamide is sourced from PubChem (CID 124764212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).