2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

C17H18F3N3O3 — CID 87036570

IUPAC2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESCOc1cccc(OCC(=O)NCCNc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O3/c1-25-12-4-2-5-13(10-12)26-11-15(24)21-8-9-23-16-14(17(18,19)20)6-3-7-22-16/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyCYJFFYWWXUNEEW-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.72
Rot. Bonds8

About 2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 87036570) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID87036570
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESCOc1cccc(OCC(=O)NCCNc2ncccc2C(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O3/c1-25-12-4-2-5-13(10-12)26-11-15(24)21-8-9-23-16-14(17(18,19)20)6-3-7-22-16/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyCYJFFYWWXUNEEW-UHFFFAOYSA-N
XLogP2.72
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxochromen-7-yl)oxy-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55933517
3-methoxy-N'-[3-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 2727185
4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 87032884
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
3-(pyridin-3-ylmethoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55932884
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
4-[(4-methoxyphenyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55834263
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide
CID 122293596
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
2-thiophen-2-yl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 51090526
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
ethyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 47437768

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 87036570) is 2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is COc1cccc(OCC(=O)NCCNc2ncccc2C(F)(F)F)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is CYJFFYWWXUNEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-25-12-4-2-5-13(10-12)26-11-15(24)21-8-9-23-16-14(17(18,19)20)6-3-7-22-16/h2-7,10H,8-9,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 369.34 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 87036570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).