2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide

C20H24F3N3O2 — CID 19797607

IUPAC2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide
SMILESNCCOc1ccc(CC(=O)NCCCc2cccc(C(F)(F)F)c2)cc1N
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)16-5-1-3-14(11-16)4-2-9-26-19(27)13-15-6-7-18(17(25)12-15)28-10-8-24/h1,3,5-7,11-12H,2,4,8-10,13,24-25H2,(H,26,27)
InChIKeyPVROKUSBPQZKOB-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.92
Rot. Bonds9

About 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide

2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide (PubChem CID 19797607) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide.

Molecular Properties

Compound Name2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide
PubChem CID19797607
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide
SMILESNCCOc1ccc(CC(=O)NCCCc2cccc(C(F)(F)F)c2)cc1N
InChIInChI=1S/C20H24F3N3O2/c21-20(22,23)16-5-1-3-14(11-16)4-2-9-26-19(27)13-15-6-7-18(17(25)12-15)28-10-8-24/h1,3,5-7,11-12H,2,4,8-10,13,24-25H2,(H,26,27)
InChIKeyPVROKUSBPQZKOB-UHFFFAOYSA-N
XLogP2.92
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-(3,4-dimethylphenyl)propyl]acetamide
CID 19797599
2-[4-(2-azidoethoxy)-3-methoxyphenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide
CID 152644053
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78796880
N-[2-(4-sulfamoylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 3640741
3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 110496645
2-(2-aminoethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 79463391
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9049975
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106307969
N-(3-aminopropyl)-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119405880
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide?
The IUPAC name of 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide (CID 19797607) is 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide.
What is the SMILES notation for 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide?
The canonical SMILES for 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide is NCCOc1ccc(CC(=O)NCCCc2cccc(C(F)(F)F)c2)cc1N.
What is the InChIKey of 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide?
The InChIKey is PVROKUSBPQZKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c21-20(22,23)16-5-1-3-14(11-16)4-2-9-26-19(27)13-15-6-7-18(17(25)12-15)28-10-8-24/h1,3,5-7,11-12H,2,4,8-10,13,24-25H2,(H,26,27).
What are the key properties of 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide?
2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(2-aminoethoxy)phenyl]-N-[3-[3-(trifluoromethyl)phenyl]propyl]acetamide is sourced from PubChem (CID 19797607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).