N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide

C24H26F3N3O5 — CID 72946152

IUPACN-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide
SMILESCOC/C(=N/OCc1ccc(C(F)(F)F)nc1)c1ccc(OCC(=O)NCC2C=COCC2)cc1
InChIInChI=1S/C24H26F3N3O5/c1-32-15-21(30-35-14-18-2-7-22(28-13-18)24(25,26)27)19-3-5-20(6-4-19)34-16-23(31)29-12-17-8-10-33-11-9-17/h2-8,10,13,17H,9,11-12,14-16H2,1H3,(H,29,31)/b30-21-
InChIKeyIIVHHLGFLGCOBJ-OFWBYEQRSA-N
MW493.48 g/mol
LogP3.71
Rot. Bonds11

About N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide

N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide (PubChem CID 72946152) has the molecular formula C24H26F3N3O5 and a molecular weight of 493.48 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide
PubChem CID72946152
Molecular FormulaC24H26F3N3O5
Molecular Weight493.48 g/mol
Exact Mass493.18
IUPAC NameN-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide
SMILESCOC/C(=N/OCc1ccc(C(F)(F)F)nc1)c1ccc(OCC(=O)NCC2C=COCC2)cc1
InChIInChI=1S/C24H26F3N3O5/c1-32-15-21(30-35-14-18-2-7-22(28-13-18)24(25,26)27)19-3-5-20(6-4-19)34-16-23(31)29-12-17-8-10-33-11-9-17/h2-8,10,13,17H,9,11-12,14-16H2,1H3,(H,29,31)/b30-21-
InChIKeyIIVHHLGFLGCOBJ-OFWBYEQRSA-N
XLogP3.71
TPSA91.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide
CID 140667204
N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide
CID 90021059
2-[4-[(E)-C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 57414079
2-[4-[C-benzyl-N-[(4-chlorophenyl)methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 76528633
2-[4-[2-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 173469232
2-[4-[(Z)-C-ethyl-N-(5-ethylpyrimidin-2-yl)oxycarbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 88921555
2-[[5-[C-benzyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
CID 76528867
2-[[5-[(E)-C-ethyl-N-[(4-fluorophenyl)methoxy]carbonimidoyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
CID 57414736
3-[5-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]pyrimidin-2-yl]-N-(oxan-4-ylmethyl)propanamide
CID 76528916
N'-[2-(4-phenylmethoxyphenoxy)acetyl]-6-(trifluoromethyl)pyridine-3-carbohydrazide
CID 43044114
2-[4-[C-(methoxymethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]carbonimidoyl]phenoxy]-1-piperidin-1-ylethanethione
CID 140667203
2-[[5-[(E)-C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-2-pyridinyl]amino]-N-(oxan-4-ylmethyl)acetamide
CID 57414600

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide (CID 72946152) is N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide is COC/C(=N/OCc1ccc(C(F)(F)F)nc1)c1ccc(OCC(=O)NCC2C=COCC2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide?
The InChIKey is IIVHHLGFLGCOBJ-OFWBYEQRSA-N. The full InChI is InChI=1S/C24H26F3N3O5/c1-32-15-21(30-35-14-18-2-7-22(28-13-18)24(25,26)27)19-3-5-20(6-4-19)34-16-23(31)29-12-17-8-10-33-11-9-17/h2-8,10,13,17H,9,11-12,14-16H2,1H3,(H,29,31)/b30-21-.
What are the key properties of N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide?
N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide has a molecular weight of 493.48 g/mol, XLogP of 3.71, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide is sourced from PubChem (CID 72946152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).