(2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide

C19H26N4O4 — CID 91028424

IUPAC(2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide
SMILESCNC(=O)/C(=N\OC)c1ccccc1CO/N=C(C)\C(=N\OC)C1CC1C
InChIInChI=1S/C19H26N4O4/c1-12-10-16(12)17(22-25-4)13(2)21-27-11-14-8-6-7-9-15(14)18(23-26-5)19(24)20-3/h6-9,12,16H,10-11H2,1-5H3,(H,20,24)/b21-13-,22-17-,23-18-
InChIKeyMWNXKSXUJOQPLC-YHGOAWRASA-N
MW374.44 g/mol
LogP2.33
Rot. Bonds9

About (2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide

(2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide (PubChem CID 91028424) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide
PubChem CID91028424
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name(2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide
SMILESCNC(=O)/C(=N\OC)c1ccccc1CO/N=C(C)\C(=N\OC)C1CC1C
InChIInChI=1S/C19H26N4O4/c1-12-10-16(12)17(22-25-4)13(2)21-27-11-14-8-6-7-9-15(14)18(23-26-5)19(24)20-3/h6-9,12,16H,10-11H2,1-5H3,(H,20,24)/b21-13-,22-17-,23-18-
InChIKeyMWNXKSXUJOQPLC-YHGOAWRASA-N
XLogP2.33
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxyimino-2-[2-[[(3-methoxyimino-4-phenylbutan-2-ylidene)amino]oxymethyl]phenyl]-N-methylacetamide
CID 72611267
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]phenyl]acetamide
CID 157024287
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
2-[2-[[1-[(1R,2R)-2-(4-fluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87950243
2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54525341
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
2-[2-[[[(1Z)-1-(4-fluorophenyl)-1-methoxyiminobutan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59041141
(2E)-2-[2-[[(E)-1-(3-chlorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 156812660
N-[4-[(E)-N-methoxy-C-[(E)-N-[[2-[(E)-N-methoxy-C-(methylcarbamoyl)carbonimidoyl]phenyl]methoxy]-C-methylcarbonimidoyl]carbonimidoyl]phenyl]-N,2,2-trimethylpropanamide
CID 59033390
(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
2-[2-[[1-[2-(2,4-difluorophenyl)-2-methylcyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 73413730
(2E)-2-methoxyimino-N-methyl-2-[2-[[(E)-1-[4-(trifluoromethoxy)phenyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 156812657

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide?
The IUPAC name of (2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide (CID 91028424) is (2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide.
What is the SMILES notation for (2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide?
The canonical SMILES for (2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide is CNC(=O)/C(=N\OC)c1ccccc1CO/N=C(C)\C(=N\OC)C1CC1C.
What is the InChIKey of (2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide?
The InChIKey is MWNXKSXUJOQPLC-YHGOAWRASA-N. The full InChI is InChI=1S/C19H26N4O4/c1-12-10-16(12)17(22-25-4)13(2)21-27-11-14-8-6-7-9-15(14)18(23-26-5)19(24)20-3/h6-9,12,16H,10-11H2,1-5H3,(H,20,24)/b21-13-,22-17-,23-18-.
What are the key properties of (2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide?
(2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide has a molecular weight of 374.44 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-2-[2-[[(Z)-[(1E)-1-methoxyimino-1-(2-methylcyclopropyl)propan-2-ylidene]amino]oxymethyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 91028424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).