2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide

C18H26F3N3O7 — CID 171556615

IUPAC2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide
SMILESNCCOCCOCC(=O)NC[C@H]1OC[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C18H26F3N3O7/c19-18(20,21)13-2-1-3-15(24-13)31-12-9-30-11(16(26)17(12)27)8-23-14(25)10-29-7-6-28-5-4-22/h1-3,11-12,16-17,26-27H,4-10,22H2,(H,23,25)/t11-,12+,16+,17-/m1/s1
InChIKeySZWPPMUXRALVAA-FCLUMBPUSA-N
MW453.41 g/mol
LogP-0.92
Rot. Bonds11

About 2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide

2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide (PubChem CID 171556615) has the molecular formula C18H26F3N3O7 and a molecular weight of 453.41 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide
PubChem CID171556615
Molecular FormulaC18H26F3N3O7
Molecular Weight453.41 g/mol
Exact Mass453.17
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide
SMILESNCCOCCOCC(=O)NC[C@H]1OC[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C18H26F3N3O7/c19-18(20,21)13-2-1-3-15(24-13)31-12-9-30-11(16(26)17(12)27)8-23-14(25)10-29-7-6-28-5-4-22/h1-3,11-12,16-17,26-27H,4-10,22H2,(H,23,25)/t11-,12+,16+,17-/m1/s1
InChIKeySZWPPMUXRALVAA-FCLUMBPUSA-N
XLogP-0.92
TPSA145.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Piperidin-3-yloxy-6-(trifluoromethyl)pyridine
CID 62348720
N-{(3S,4S)-4-(hydroxymethyl)-1-[(6-methoxy-2-pyridyl)methyl]hexahydro-3-pyridinyl}-2-methoxyacetamide
CID 91920872
(3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-2-one
CID 164633469
(3S)-3-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperazine-1-carboxylic acid
CID 68988601
N-ethyl-2-[4-[[6-methyl-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanamide
CID 70543191
(2E)-2-cyclohexa-2,4-dien-1-ylidene-N-[1-[6-(2,2-difluoropropoxy)-2-pyridinyl]ethyl]-2-hydroxyacetamide
CID 124095601
2-(3,4-difluorophenoxy)-N-[3-hydroxy-4-[[2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetyl]amino]butyl]acetamide
CID 138632380
[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 4-[[6-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 147782184
2-(4-chloro-3-fluorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide
CID 155303024
2-(4-chlorophenoxy)-N-[(2S)-2-hydroxy-4-[[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetyl]amino]butyl]acetamide
CID 155303069
6-[4-(1,4-dioxan-2-ylmethoxy)-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 164856023
6-[4-[[(2R)-1,4-dioxan-2-yl]methoxy]-6-methoxy-2-pyridinyl]-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 164856275

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide (CID 171556615) is 2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide is NCCOCCOCC(=O)NC[C@H]1OC[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide?
The InChIKey is SZWPPMUXRALVAA-FCLUMBPUSA-N. The full InChI is InChI=1S/C18H26F3N3O7/c19-18(20,21)13-2-1-3-15(24-13)31-12-9-30-11(16(26)17(12)27)8-23-14(25)10-29-7-6-28-5-4-22/h1-3,11-12,16-17,26-27H,4-10,22H2,(H,23,25)/t11-,12+,16+,17-/m1/s1.
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide?
2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide has a molecular weight of 453.41 g/mol, XLogP of -0.92, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]-N-[[(2R,3R,4S,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxan-2-yl]methyl]acetamide is sourced from PubChem (CID 171556615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).