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

C23H28F3N3O3 — CID 110842060

IUPAC2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C23H28F3N3O3/c1-4-12-29(13-5-2)22(30)16-32-20-11-6-17(14-21(20)31-3)15-27-28-19-9-7-18(8-10-19)23(24,25)26/h6-11,14-15,28H,4-5,12-13,16H2,1-3H3
InChIKeyGWRZZTSBLZMWFU-UHFFFAOYSA-N
MW451.49 g/mol
LogP5.19
Rot. Bonds11

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

2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide (PubChem CID 110842060) has the molecular formula C23H28F3N3O3 and a molecular weight of 451.49 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide
PubChem CID110842060
Molecular FormulaC23H28F3N3O3
Molecular Weight451.49 g/mol
Exact Mass451.21
IUPAC Name2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)COc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1OC
InChIInChI=1S/C23H28F3N3O3/c1-4-12-29(13-5-2)22(30)16-32-20-11-6-17(14-21(20)31-3)15-27-28-19-9-7-18(8-10-19)23(24,25)26/h6-11,14-15,28H,4-5,12-13,16H2,1-3H3
InChIKeyGWRZZTSBLZMWFU-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-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide
CID 110841772
3-[2-[[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110841497
2-[4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N,N-dipropylacetamide
CID 110842509
2-[2-[[4-[2-(dipropylamino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110841364
ethyl 2-[2-methoxy-4-[(E)-[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]acetate
CID 19656010
2-[2-ethoxy-4-[(E)-[(4-fluorophenyl)hydrazinylidene]methyl]phenoxy]-N,N-diethylacetamide
CID 110506196
2-[2-methoxy-4-[(Z)-[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 126109798
N-[(4-hexoxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841736
N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)aniline
CID 110841574
N-[(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841928
2-[4-[(Z)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 9216919
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-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide (CID 110842060) is 2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide is CCCN(CCC)C(=O)COc1ccc(C=NNc2ccc(C(F)(F)F)cc2)cc1OC.
What is the InChIKey of 2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide?
The InChIKey is GWRZZTSBLZMWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O3/c1-4-12-29(13-5-2)22(30)16-32-20-11-6-17(14-21(20)31-3)15-27-28-19-9-7-18(8-10-19)23(24,25)26/h6-11,14-15,28H,4-5,12-13,16H2,1-3H3.
What are the key properties of 2-[2-methoxy-4-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide?
2-[2-methoxy-4-[[[4-(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-[[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenoxy]-N,N-dipropylacetamide is sourced from PubChem (CID 110842060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).