2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide

C28H30F6N8O4 — CID 51352010

IUPAC2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide
SMILESO=C1NCCN(CCNC(=O)C(F)(F)F)CCCOc2ccc(cc2)CNc2nc(nc(OCC(F)(F)F)n2)Nc2ccc1cc2
InChIInChI=1S/C28H30F6N8O4/c29-27(30,31)17-46-26-40-24-37-16-18-2-8-21(9-3-18)45-15-1-12-42(14-11-36-23(44)28(32,33)34)13-10-35-22(43)19-4-6-20(7-5-19)38-25(39-24)41-26/h2-9H,1,10-17H2,(H,35,43)(H,36,44)(H2,37,38,39,40,41)
InChIKeyQQICTIICJCEEQH-UHFFFAOYSA-N
MW656.59 g/mol
LogP3.66
Rot. Bonds5

About 2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide (PubChem CID 51352010) has the molecular formula C28H30F6N8O4 and a molecular weight of 656.59 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide
PubChem CID51352010
Molecular FormulaC28H30F6N8O4
Molecular Weight656.59 g/mol
Exact Mass656.23
IUPAC Name2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide
SMILESO=C1NCCN(CCNC(=O)C(F)(F)F)CCCOc2ccc(cc2)CNc2nc(nc(OCC(F)(F)F)n2)Nc2ccc1cc2
InChIInChI=1S/C28H30F6N8O4/c29-27(30,31)17-46-26-40-24-37-16-18-2-8-21(9-3-18)45-15-1-12-42(14-11-36-23(44)28(32,33)34)13-10-35-22(43)19-4-6-20(7-5-19)38-25(39-24)41-26/h2-9H,1,10-17H2,(H,35,43)(H,36,44)(H2,37,38,39,40,41)
InChIKeyQQICTIICJCEEQH-UHFFFAOYSA-N
XLogP3.66
TPSA142.63 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.59
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide with MolForge

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Related Compounds

N-methyl-3-[[4-[3-[4-(trifluoromethoxy)phenoxy]propylamino]-1,3,5-triazin-2-yl]amino]benzamide
CID 53371553
N-methyl-3-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 53371946
N-methyl-3-[[4-[3-[[4-(trifluoromethyl)phenoxy]methyl]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 53373398
2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 53373533
3-[[4-[4-[3-fluoro-4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312613
3-[[4-[4-(3-fluorophenoxy)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 121312750
N-methyl-3-[[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 121312792
2-fluoro-N-methyl-5-[[4-[3-[4-(trifluoromethoxy)phenoxy]propylamino]-1,3,5-triazin-2-yl]amino]benzamide
CID 127053838
N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 121312631
3-fluoro-N-methyl-5-[[4-[3-[[4-(trifluoromethyl)phenoxy]methyl]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 121312649
N-methyl-3-[[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 121312654
3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 121312675

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide (CID 51352010) is 2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide is O=C1NCCN(CCNC(=O)C(F)(F)F)CCCOc2ccc(cc2)CNc2nc(nc(OCC(F)(F)F)n2)Nc2ccc1cc2.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide?
The InChIKey is QQICTIICJCEEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F6N8O4/c29-27(30,31)17-46-26-40-24-37-16-18-2-8-21(9-3-18)45-15-1-12-42(14-11-36-23(44)28(32,33)34)13-10-35-22(43)19-4-6-20(7-5-19)38-25(39-24)41-26/h2-9H,1,10-17H2,(H,35,43)(H,36,44)(H2,37,38,39,40,41).
What are the key properties of 2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide has a molecular weight of 656.59 g/mol, XLogP of 3.66, 5 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-[2-[22-oxo-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,18,21,30-heptazatetracyclo[21.2.2.210,13.13,7]triaconta-1(25),3,5,7(30),10(29),11,13(28),23,26-nonaen-18-yl]ethyl]acetamide is sourced from PubChem (CID 51352010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).