N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide

C33H42F15N3O6Si3 — CID 170703045

IUPACN-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)N(CCC[Si](C)(C)c1cc([Si](C)(C)CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)ccc1[Si](C)(C)CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C33H42F15N3O6Si3/c1-20(52)49(24(53)29(34,35)36)13-8-18-60(6,7)23-19-21(58(2,3)16-9-14-50(25(54)30(37,38)39)26(55)31(40,41)42)11-12-22(23)59(4,5)17-10-15-51(27(56)32(43,44)45)28(57)33(46,47)48/h11-12,19H,8-10,13-18H2,1-7H3
InChIKeyHHIZSDIPLIEGAR-UHFFFAOYSA-N
MW945.94 g/mol
LogP6.50
Rot. Bonds15

About N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide

N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide (PubChem CID 170703045) has the molecular formula C33H42F15N3O6Si3 and a molecular weight of 945.94 g/mol. Its IUPAC name is N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide
PubChem CID170703045
Molecular FormulaC33H42F15N3O6Si3
Molecular Weight945.94 g/mol
Exact Mass945.21
IUPAC NameN-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide
SMILESCC(=O)N(CCC[Si](C)(C)c1cc([Si](C)(C)CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)ccc1[Si](C)(C)CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChIInChI=1S/C33H42F15N3O6Si3/c1-20(52)49(24(53)29(34,35)36)13-8-18-60(6,7)23-19-21(58(2,3)16-9-14-50(25(54)30(37,38)39)26(55)31(40,41)42)11-12-22(23)59(4,5)17-10-15-51(27(56)32(43,44)45)28(57)33(46,47)48/h11-12,19H,8-10,13-18H2,1-7H3
InChIKeyHHIZSDIPLIEGAR-UHFFFAOYSA-N
XLogP6.50
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.94
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide (CID 170703045) is N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide is CC(=O)N(CCC[Si](C)(C)c1cc([Si](C)(C)CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)ccc1[Si](C)(C)CCCN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(=O)C(F)(F)F.
What is the InChIKey of N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is HHIZSDIPLIEGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42F15N3O6Si3/c1-20(52)49(24(53)29(34,35)36)13-8-18-60(6,7)23-19-21(58(2,3)16-9-14-50(25(54)30(37,38)39)26(55)31(40,41)42)11-12-22(23)59(4,5)17-10-15-51(27(56)32(43,44)45)28(57)33(46,47)48/h11-12,19H,8-10,13-18H2,1-7H3.
What are the key properties of N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide?
N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 945.94 g/mol, XLogP of 6.50, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[3-[[2,5-bis[3-[bis(2,2,2-trifluoroacetyl)amino]propyl-dimethylsilyl]phenyl]-dimethylsilyl]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 170703045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).