N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide

C24H25F3N2O4 — CID 90021059

IUPACN-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide
SMILESO=C(COc1ccc(CC=NOCc2ccc(C(F)(F)F)cc2)cc1)NCC1C=COCC1
InChIInChI=1S/C24H25F3N2O4/c25-24(26,27)21-5-1-20(2-6-21)16-33-29-12-9-18-3-7-22(8-4-18)32-17-23(30)28-15-19-10-13-31-14-11-19/h1-8,10,12-13,19H,9,11,14-17H2,(H,28,30)
InChIKeyPPNIKHPCTWNDHN-UHFFFAOYSA-N
MW462.47 g/mol
LogP4.50
Rot. Bonds10

About N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide

N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide (PubChem CID 90021059) has the molecular formula C24H25F3N2O4 and a molecular weight of 462.47 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide
PubChem CID90021059
Molecular FormulaC24H25F3N2O4
Molecular Weight462.47 g/mol
Exact Mass462.18
IUPAC NameN-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide
SMILESO=C(COc1ccc(CC=NOCc2ccc(C(F)(F)F)cc2)cc1)NCC1C=COCC1
InChIInChI=1S/C24H25F3N2O4/c25-24(26,27)21-5-1-20(2-6-21)16-33-29-12-9-18-3-7-22(8-4-18)32-17-23(30)28-15-19-10-13-31-14-11-19/h1-8,10,12-13,19H,9,11,14-17H2,(H,28,30)
InChIKeyPPNIKHPCTWNDHN-UHFFFAOYSA-N
XLogP4.50
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 54.50
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

N-cyclopropyl-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]acetamide
CID 90021284
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-[(E)-C-(methoxymethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]carbonimidoyl]phenoxy]acetamide
CID 72946152
2-[4-[(E)-C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 57414079
methyl 2-hydroxy-3-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]propanoate
CID 118238913
2-[4-[2-morpholin-4-yl-2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
CID 173469232
4-hydroxy-5,5-dimethyl-3-[[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]methyl]furan-2-one
CID 118239005
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 120946931
1-(6-azaspiro[2.5]octan-6-yl)-2-[4-[3-[[4-(trifluoromethyl)phenyl]methoxyimino]propyl]phenoxy]ethanone
CID 90021177
2-[[5-[2-[(4-cyanophenyl)methoxyimino]ethyl]-2-pyridinyl]oxy]-N-(oxan-4-ylmethyl)acetamide
CID 88921479
2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
CID 8510054

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide?
The IUPAC name of N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide (CID 90021059) is N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide is O=C(COc1ccc(CC=NOCc2ccc(C(F)(F)F)cc2)cc1)NCC1C=COCC1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide?
The InChIKey is PPNIKHPCTWNDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O4/c25-24(26,27)21-5-1-20(2-6-21)16-33-29-12-9-18-3-7-22(8-4-18)32-17-23(30)28-15-19-10-13-31-14-11-19/h1-8,10,12-13,19H,9,11,14-17H2,(H,28,30).
What are the key properties of N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide?
N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide has a molecular weight of 462.47 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]phenoxy]acetamide is sourced from PubChem (CID 90021059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).