N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide

C22H26F3N3O3 — CID 135190265

IUPACN-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide
SMILESCCCC(=O)N(N)c1cccc(C)c1CON=C(C)c1ccc(OC)c(C(F)(F)F)c1
InChIInChI=1S/C22H26F3N3O3/c1-5-7-21(29)28(26)19-9-6-8-14(2)17(19)13-31-27-15(3)16-10-11-20(30-4)18(12-16)22(23,24)25/h6,8-12H,5,7,13,26H2,1-4H3
InChIKeyCLBBBOMZPAULPN-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.97
Rot. Bonds8

About N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide

N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide (PubChem CID 135190265) has the molecular formula C22H26F3N3O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide.

Molecular Properties

Compound NameN-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide
PubChem CID135190265
Molecular FormulaC22H26F3N3O3
Molecular Weight437.46 g/mol
Exact Mass437.19
IUPAC NameN-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide
SMILESCCCC(=O)N(N)c1cccc(C)c1CON=C(C)c1ccc(OC)c(C(F)(F)F)c1
InChIInChI=1S/C22H26F3N3O3/c1-5-7-21(29)28(26)19-9-6-8-14(2)17(19)13-31-27-15(3)16-10-11-20(30-4)18(12-16)22(23,24)25/h6,8-12H,5,7,13,26H2,1-4H3
InChIKeyCLBBBOMZPAULPN-UHFFFAOYSA-N
XLogP4.97
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

methyl N-[5-[N-[[2-fluoro-3-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]-2-methylphenoxy]carbamate
CID 76755369
methyl N-[2-chloro-5-[(E)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]-C-methylcarbonimidoyl]phenoxy]carbamate
CID 58308806
[2-[[1-(2,3-dihydro-1H-inden-5-yl)ethylideneamino]oxymethyl]-3-methylphenyl]-(methoxymethyl)carbamic acid
CID 173323715
3-chloro-1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-1-one
CID 134626230
1-[4-methoxy-3-(trifluoromethyl)phenyl]-3-methylsulfanylpropan-1-one
CID 146008962
N-(N'-chlorocarbamimidoyl)-4-methoxy-3-(trifluoromethyl)benzamide
CID 67582144
1-methyl-4-[3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]tetrazol-5-one
CID 118279047
methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-[(Z)-N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]acetate
CID 157024037
methyl N-[2-[[4-ethyl-5-methyl-2-(trifluoromethyl)phenoxy]methyl]-3-methylphenyl]-N-hydroxycarbamate
CID 126587845
methyl 4-methoxy-3-(trifluoromethyl)benzoate
CID 19360538
1-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146008972
methyl (2E)-2-methoxyimino-2-[3-methyl-2-[[(E)-1-[5-(trifluoromethyl)-3-pyridinyl]ethylideneamino]oxymethyl]phenyl]acetate
CID 162729331

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide?
The IUPAC name of N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide (CID 135190265) is N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide.
What is the SMILES notation for N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide?
The canonical SMILES for N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide is CCCC(=O)N(N)c1cccc(C)c1CON=C(C)c1ccc(OC)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide?
The InChIKey is CLBBBOMZPAULPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3/c1-5-7-21(29)28(26)19-9-6-8-14(2)17(19)13-31-27-15(3)16-10-11-20(30-4)18(12-16)22(23,24)25/h6,8-12H,5,7,13,26H2,1-4H3.
What are the key properties of N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide?
N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide has a molecular weight of 437.46 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[4-methoxy-3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]-3-methylphenyl]butanehydrazide is sourced from PubChem (CID 135190265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).