2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide

C20H28N4O3 — CID 76889459

IUPAC2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
SMILESCOc1ccc(C(N)=NOCC(=O)NN=C2CC3CCC2(C)C3(C)C)cc1
InChIInChI=1S/C20H28N4O3/c1-19(2)14-9-10-20(19,3)16(11-14)22-23-17(25)12-27-24-18(21)13-5-7-15(26-4)8-6-13/h5-8,14H,9-12H2,1-4H3,(H2,21,24)(H,23,25)
InChIKeyYTJHWRHVAOHPKR-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.65
Rot. Bonds6

About 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide

2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide (PubChem CID 76889459) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide.

Molecular Properties

Compound Name2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
PubChem CID76889459
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
SMILESCOc1ccc(C(N)=NOCC(=O)NN=C2CC3CCC2(C)C3(C)C)cc1
InChIInChI=1S/C20H28N4O3/c1-19(2)14-9-10-20(19,3)16(11-14)22-23-17(25)12-27-24-18(21)13-5-7-15(26-4)8-6-13/h5-8,14H,9-12H2,1-4H3,(H2,21,24)(H,23,25)
InChIKeyYTJHWRHVAOHPKR-UHFFFAOYSA-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-[[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-[(Z)-[amino-(2-methoxyphenyl)methylidene]amino]oxy-N-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 55412039
2-(4-methoxyphenyl)-N-[(Z)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 23327872
[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6179591
[2-oxo-2-[(2E)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2,4-dimethoxybenzoate
CID 55313948
[2-oxo-2-[(2E)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 3-(2-methoxyphenoxy)propanoate
CID 55317937
4-ethoxy-N-[2-oxo-2-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl]benzamide
CID 9371123
4-ethoxy-N-[2-oxo-2-[(2Z)-2-[(1S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]ethyl]benzamide
CID 23327938
methyl 4-[[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]carbamoyl]benzoate
CID 9371298
2-(3-methylphenoxy)-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]acetamide
CID 9371026
[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-methylpyrazole-3-carboxylate
CID 75364388
2-(2-fluorophenoxy)-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 74042000

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide?
The IUPAC name of 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide (CID 76889459) is 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide.
What is the SMILES notation for 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide?
The canonical SMILES for 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide is COc1ccc(C(N)=NOCC(=O)NN=C2CC3CCC2(C)C3(C)C)cc1.
What is the InChIKey of 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide?
The InChIKey is YTJHWRHVAOHPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-19(2)14-9-10-20(19,3)16(11-14)22-23-17(25)12-27-24-18(21)13-5-7-15(26-4)8-6-13/h5-8,14H,9-12H2,1-4H3,(H2,21,24)(H,23,25).
What are the key properties of 2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide?
2-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(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-[[amino-(4-methoxyphenyl)methylidene]amino]oxy-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide is sourced from PubChem (CID 76889459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).