N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide

C19H19F3N2O4 — CID 168875878

IUPACN-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide
SMILESCc1cccc(C=NNC(=O)C(C)(C)Oc2cccc(OC(F)(F)F)c2)c1O
InChIInChI=1S/C19H19F3N2O4/c1-12-6-4-7-13(16(12)25)11-23-24-17(26)18(2,3)27-14-8-5-9-15(10-14)28-19(20,21)22/h4-11,25H,1-3H3,(H,24,26)
InChIKeyJUIVFVGHALXHGI-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.91
Rot. Bonds6

About N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide

N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide (PubChem CID 168875878) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide
PubChem CID168875878
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC NameN-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide
SMILESCc1cccc(C=NNC(=O)C(C)(C)Oc2cccc(OC(F)(F)F)c2)c1O
InChIInChI=1S/C19H19F3N2O4/c1-12-6-4-7-13(16(12)25)11-23-24-17(26)18(2,3)27-14-8-5-9-15(10-14)28-19(20,21)22/h4-11,25H,1-3H3,(H,24,26)
InChIKeyJUIVFVGHALXHGI-UHFFFAOYSA-N
XLogP3.91
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-hydroxy-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135533066
methyl N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]carbamate
CID 135578391
4-[[(2-hydroxy-3-methylphenyl)methylideneamino]carbamothioylamino]benzoic acid
CID 136601679
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135502640
4-bromo-N-[(Z)-(2-hydroxy-3-methylphenyl)methylideneamino]benzamide
CID 135458900
2-(2,3-dimethylphenoxy)-N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]acetamide
CID 135590182
2-hydroxy-N-[(E)-[2-hydroxy-5-(trifluoromethoxy)phenyl]methylideneamino]benzamide
CID 135959938
2-(4-chloro-3-methylphenoxy)-2-methyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 4510944
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
N-[(E)-(2-hydroxy-3-methylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135550898
ethane;3-(trifluoromethoxy)phenol
CID 143201974

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide?
The IUPAC name of N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide (CID 168875878) is N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide.
What is the SMILES notation for N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide?
The canonical SMILES for N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide is Cc1cccc(C=NNC(=O)C(C)(C)Oc2cccc(OC(F)(F)F)c2)c1O.
What is the InChIKey of N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide?
The InChIKey is JUIVFVGHALXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-12-6-4-7-13(16(12)25)11-23-24-17(26)18(2,3)27-14-8-5-9-15(10-14)28-19(20,21)22/h4-11,25H,1-3H3,(H,24,26).
What are the key properties of N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide?
N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide has a molecular weight of 396.37 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methyl-2-[3-(trifluoromethoxy)phenoxy]propanamide is sourced from PubChem (CID 168875878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).