2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide

C18H24ClN3O4 — CID 7667186

IUPAC2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=N\OCC(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C18H24ClN3O4/c1-12-5-3-4-6-14(12)21-18(24)11-26-20-10-17(23)22-15-9-13(19)7-8-16(15)25-2/h7-10,12,14H,3-6,11H2,1-2H3,(H,21,24)(H,22,23)/b20-10-/t12-,14+/m0/s1
InChIKeyLPTAKUNVCSEXEA-VTRSUIGVSA-N
MW381.86 g/mol
LogP2.98
Rot. Bonds7

About 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide

2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide (PubChem CID 7667186) has the molecular formula C18H24ClN3O4 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
PubChem CID7667186
Molecular FormulaC18H24ClN3O4
Molecular Weight381.86 g/mol
Exact Mass381.15
IUPAC Name2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=N\OCC(=O)N[C@@H]1CCCC[C@@H]1C
InChIInChI=1S/C18H24ClN3O4/c1-12-5-3-4-6-14(12)21-18(24)11-26-20-10-17(23)22-15-9-13(19)7-8-16(15)25-2/h7-10,12,14H,3-6,11H2,1-2H3,(H,21,24)(H,22,23)/b20-10-/t12-,14+/m0/s1
InChIKeyLPTAKUNVCSEXEA-VTRSUIGVSA-N
XLogP2.98
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-cyclopentylacetamide
CID 7666999
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9222495
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(4-fluorophenyl)acetamide
CID 7666973
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-(3,4-dimethylphenyl)acetamide
CID 7666877
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409
2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 4535395
N-[4-[(2R)-butan-2-yl]phenyl]-2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666981
N-[4-[(2S)-butan-2-yl]phenyl]-2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxyacetamide
CID 7666986
(2Z)-N-(5-chloro-2-methoxyphenyl)-2-phenylmethoxyiminoacetamide
CID 7666843
2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7700136
2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7644084
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 41286675

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide (CID 7667186) is 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide is COc1ccc(Cl)cc1NC(=O)/C=N\OCC(=O)N[C@@H]1CCCC[C@@H]1C.
What is the InChIKey of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is LPTAKUNVCSEXEA-VTRSUIGVSA-N. The full InChI is InChI=1S/C18H24ClN3O4/c1-12-5-3-4-6-14(12)21-18(24)11-26-20-10-17(23)22-15-9-13(19)7-8-16(15)25-2/h7-10,12,14H,3-6,11H2,1-2H3,(H,21,24)(H,22,23)/b20-10-/t12-,14+/m0/s1.
What are the key properties of 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide?
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 381.86 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 7667186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).