2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

C23H26FN3O3 — CID 87950243

IUPAC2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1CON=C(C)[C@@H]1C[C@@]1(C)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O3/c1-15(20-13-23(20,2)17-9-11-18(24)12-10-17)26-30-14-16-7-5-6-8-19(16)21(27-29-4)22(28)25-3/h5-12,20H,13-14H2,1-4H3,(H,25,28)/t20-,23-/m0/s1
InChIKeyDDVKPYRFCQTOPK-REWPJTCUSA-N
MW411.48 g/mol
LogP3.79
Rot. Bonds8

About 2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 87950243) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID87950243
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1CON=C(C)[C@@H]1C[C@@]1(C)c1ccc(F)cc1
InChIInChI=1S/C23H26FN3O3/c1-15(20-13-23(20,2)17-9-11-18(24)12-10-17)26-30-14-16-7-5-6-8-19(16)21(27-29-4)22(28)25-3/h5-12,20H,13-14H2,1-4H3,(H,25,28)/t20-,23-/m0/s1
InChIKeyDDVKPYRFCQTOPK-REWPJTCUSA-N
XLogP3.79
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
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-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 73413730
2-[2-[[[(1Z)-1-(4-fluorophenyl)-1-methoxyiminobutan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59041141
(2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide
CID 91028424
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024287
2-methoxyimino-2-[2-[[(3-methoxyimino-4-phenylbutan-2-ylidene)amino]oxymethyl]phenyl]-N-methylacetamide
CID 72611267
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 156812657
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
(2E)-2-[2-[[(E)-1-(3-chlorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 156812660
(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
methyl (2E)-2-[2-[[(E)-1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 173271663
methyl (2Z)-2-[2-[[(E)-[(1Z)-1-(4-fluorophenyl)-1-methoxyiminobutan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 172947889

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of 2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 87950243) is 2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for 2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for 2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)C(=NOC)c1ccccc1CON=C(C)[C@@H]1C[C@@]1(C)c1ccc(F)cc1.
What is the InChIKey of 2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is DDVKPYRFCQTOPK-REWPJTCUSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-15(20-13-23(20,2)17-9-11-18(24)12-10-17)26-30-14-16-7-5-6-8-19(16)21(27-29-4)22(28)25-3/h5-12,20H,13-14H2,1-4H3,(H,25,28)/t20-,23-/m0/s1.
What are the key properties of 2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 411.48 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 87950243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).