2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide

C32H32F12N4O10 — CID 5076039

IUPAC2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide
SMILESO=C(NCc1cc2c(cc1CNC(=O)C(F)(F)F)OCCOCCOc1cc(CNC(=O)C(F)(F)F)c(CNC(=O)C(F)(F)F)cc1OCCOCCO2)C(F)(F)F
InChIInChI=1S/C32H32F12N4O10/c33-29(34,35)25(49)45-13-17-9-21-22(10-18(17)14-46-26(50)30(36,37)38)57-7-3-54-4-8-58-24-12-20(16-48-28(52)32(42,43)44)19(15-47-27(51)31(39,40)41)11-23(24)56-6-2-53-1-5-55-21/h9-12H,1-8,13-16H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52)
InChIKeyNCZVCZSKAJHXCX-UHFFFAOYSA-N
MW860.60 g/mol
LogP3.66
Rot. Bonds8

About 2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide

2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide (PubChem CID 5076039) has the molecular formula C32H32F12N4O10 and a molecular weight of 860.60 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide
PubChem CID5076039
Molecular FormulaC32H32F12N4O10
Molecular Weight860.60 g/mol
Exact Mass860.19
IUPAC Name2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide
SMILESO=C(NCc1cc2c(cc1CNC(=O)C(F)(F)F)OCCOCCOc1cc(CNC(=O)C(F)(F)F)c(CNC(=O)C(F)(F)F)cc1OCCOCCO2)C(F)(F)F
InChIInChI=1S/C32H32F12N4O10/c33-29(34,35)25(49)45-13-17-9-21-22(10-18(17)14-46-26(50)30(36,37)38)57-7-3-54-4-8-58-24-12-20(16-48-28(52)32(42,43)44)19(15-47-27(51)31(39,40)41)11-23(24)56-6-2-53-1-5-55-21/h9-12H,1-8,13-16H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52)
InChIKeyNCZVCZSKAJHXCX-UHFFFAOYSA-N
XLogP3.66
TPSA171.78 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500860.60
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-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

2,2,2-trichloro-N-[[12,24,25-tris[[(2,2,2-trichloroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide
CID 3410942
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoroacetamide
CID 795667
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
2,2,2-trifluoro-N-[(2,4,5-trimethylphenyl)methyl]acetamide
CID 115190257
N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
CID 55137134
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-oxoacetic acid
CID 115141329
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962497
17,18-bis(bromomethyl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 11419643
4,7,10,14,17,20-hexaoxatricyclo[11.7.0.03,11]icosa-1(13),2,11-triene
CID 176853377
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoacetamide
CID 115166249
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190275
N-(1,3-benzodioxol-5-ylmethyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5086006

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide (CID 5076039) is 2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide is O=C(NCc1cc2c(cc1CNC(=O)C(F)(F)F)OCCOCCOc1cc(CNC(=O)C(F)(F)F)c(CNC(=O)C(F)(F)F)cc1OCCOCCO2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide?
The InChIKey is NCZVCZSKAJHXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F12N4O10/c33-29(34,35)25(49)45-13-17-9-21-22(10-18(17)14-46-26(50)30(36,37)38)57-7-3-54-4-8-58-24-12-20(16-48-28(52)32(42,43)44)19(15-47-27(51)31(39,40)41)11-23(24)56-6-2-53-1-5-55-21/h9-12H,1-8,13-16H2,(H,45,49)(H,46,50)(H,47,51)(H,48,52).
What are the key properties of 2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide has a molecular weight of 860.60 g/mol, XLogP of 3.66, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[12,24,25-tris[[(2,2,2-trifluoroacetyl)amino]methyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl]acetamide is sourced from PubChem (CID 5076039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).