2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide

C20H28N4O3 — CID 55412039

IUPAC2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
SMILESCOc1ccccc1/C(N)=N/OCC(=O)N/N=C1\CC2CCC1(C)C2(C)C
InChIInChI=1S/C20H28N4O3/c1-19(2)13-9-10-20(19,3)16(11-13)22-23-17(25)12-27-24-18(21)14-7-5-6-8-15(14)26-4/h5-8,13H,9-12H2,1-4H3,(H2,21,24)(H,23,25)/b22-16+
InChIKeyMEWBACNWSXQTEN-CJLVFECKSA-N
MW372.47 g/mol
LogP2.65
Rot. Bonds6

About 2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide

2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide (PubChem CID 55412039) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
PubChem CID55412039
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
SMILESCOc1ccccc1/C(N)=N/OCC(=O)N/N=C1\CC2CCC1(C)C2(C)C
InChIInChI=1S/C20H28N4O3/c1-19(2)13-9-10-20(19,3)16(11-13)22-23-17(25)12-27-24-18(21)14-7-5-6-8-15(14)26-4/h5-8,13H,9-12H2,1-4H3,(H2,21,24)(H,23,25)/b22-16+
InChIKeyMEWBACNWSXQTEN-CJLVFECKSA-N
XLogP2.65
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-[(2E)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 3-(2-methoxyphenoxy)propanoate
CID 55317937
2-[[amino(thiophen-3-yl)methylidene]amino]oxy-N-[[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 129421546
2-(2-fluorophenoxy)-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 74042000
[2-oxo-2-[(2E)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2,4-dimethoxybenzoate
CID 55313948
2-(4-methoxyphenyl)-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 23327872
2-hydroxy-N-[(E)-[(1S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 25251646
2-(3-methylphenoxy)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 9371026
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]benzamide
CID 5031149
2-fluoro-N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide
CID 23328031
2-methyl-N-[3-oxo-3-[(2Z)-2-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]propyl]benzamide
CID 9087348
2-chloro-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 584224
methyl 4-[[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]carbamoyl]benzoate
CID 9371298

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide?
The IUPAC name of 2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide (CID 55412039) is 2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide.
What is the SMILES notation for 2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide?
The canonical SMILES for 2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide is COc1ccccc1/C(N)=N/OCC(=O)N/N=C1\CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide?
The InChIKey is MEWBACNWSXQTEN-CJLVFECKSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-19(2)13-9-10-20(19,3)16(11-13)22-23-17(25)12-27-24-18(21)14-7-5-6-8-15(14)26-4/h5-8,13H,9-12H2,1-4H3,(H2,21,24)(H,23,25)/b22-16+.
What are the key properties of 2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide?
2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide has a molecular weight of 372.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide is sourced from PubChem (CID 55412039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).