N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide

C26H37F3N2O2Si — CID 58007176

IUPACN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C)NCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C26H37F3N2O2Si/c1-20(2)30-18-17-21(31(6)24(32)26(27,28)29)19-33-34(25(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,30H,17-19H2,1-6H3/t21-/m0/s1
InChIKeyYLPNBYPISIYHPF-NRFANRHFSA-N
MW494.67 g/mol
LogP4.34
Rot. Bonds10

About N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide

N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 58007176) has the molecular formula C26H37F3N2O2Si and a molecular weight of 494.67 g/mol. Its IUPAC name is N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID58007176
Molecular FormulaC26H37F3N2O2Si
Molecular Weight494.67 g/mol
Exact Mass494.26
IUPAC NameN-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C)NCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C26H37F3N2O2Si/c1-20(2)30-18-17-21(31(6)24(32)26(27,28)29)19-33-34(25(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,30H,17-19H2,1-6H3/t21-/m0/s1
InChIKeyYLPNBYPISIYHPF-NRFANRHFSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.67
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide (CID 58007176) is N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide is CC(C)NCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(C)C(=O)C(F)(F)F.
What is the InChIKey of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is YLPNBYPISIYHPF-NRFANRHFSA-N. The full InChI is InChI=1S/C26H37F3N2O2Si/c1-20(2)30-18-17-21(31(6)24(32)26(27,28)29)19-33-34(25(3,4)5,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,30H,17-19H2,1-6H3/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide?
N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 494.67 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-(propan-2-ylamino)butan-2-yl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 58007176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).