2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide

C23H28F3N3O3 — CID 110841772

IUPAC2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COc1ccc(C=NNc2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C23H28F3N3O3/c1-4-11-29(12-5-2)22(30)16-32-20-10-9-17(13-21(20)31-3)15-27-28-19-8-6-7-18(14-19)23(24,25)26/h6-10,13-15,28H,4-5,11-12,16H2,1-3H3
InChIKeyIYSPWLUXAPKALJ-UHFFFAOYSA-N
MW451.49 g/mol
LogP5.19
Rot. Bonds11

About 2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide

2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide (PubChem CID 110841772) has the molecular formula C23H28F3N3O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide
PubChem CID110841772
Molecular FormulaC23H28F3N3O3
Molecular Weight451.49 g/mol
Exact Mass451.21
IUPAC Name2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COc1ccc(C=NNc2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C23H28F3N3O3/c1-4-11-29(12-5-2)22(30)16-32-20-10-9-17(13-21(20)31-3)15-27-28-19-8-6-7-18(14-19)23(24,25)26/h6-10,13-15,28H,4-5,11-12,16H2,1-3H3
InChIKeyIYSPWLUXAPKALJ-UHFFFAOYSA-N
XLogP5.19
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.49
LogP ≤ 55.19
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

2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide
CID 110842060
3-[2-[[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110841497
ethyl 2-[2-methoxy-4-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetate
CID 19656010
2-[4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N,N-dipropylacetamide
CID 110842509
N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841574
N-[(4-hexoxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841736
2-[2-[[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110841364
2-[4-(hydroxyiminomethyl)-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 57365585
2-methoxy-5-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 110841513
2-ethoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136704774
N'-[(3-methoxy-4-propoxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]propanediamide
CID 5228336
N-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]aniline
CID 169384243

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide (CID 110841772) is 2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide is CCCN(CCC)C(=O)COc1ccc(C=NNc2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of 2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide?
The InChIKey is IYSPWLUXAPKALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3/c1-4-11-29(12-5-2)22(30)16-32-20-10-9-17(13-21(20)31-3)15-27-28-19-8-6-7-18(14-19)23(24,25)26/h6-10,13-15,28H,4-5,11-12,16H2,1-3H3.
What are the key properties of 2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide?
2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide has a molecular weight of 451.49 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide is sourced from PubChem (CID 110841772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).