N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide

C19H32ClNO3Si — CID 169228710

IUPACN-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide
SMILESC[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C19H32ClNO3Si/c1-15(17(22)14-24-25(5,6)19(2,3)4)21(18(23)12-20)13-16-10-8-7-9-11-16/h7-11,15,17,22H,12-14H2,1-6H3/t15-,17+/m0/s1
InChIKeyLCSWFEIOMFUPOX-DOTOQJQBSA-N
MW386.01 g/mol
LogP4.03
Rot. Bonds8

About N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide

N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide (PubChem CID 169228710) has the molecular formula C19H32ClNO3Si and a molecular weight of 386.01 g/mol. Its IUPAC name is N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide
PubChem CID169228710
Molecular FormulaC19H32ClNO3Si
Molecular Weight386.01 g/mol
Exact Mass385.18
IUPAC NameN-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide
SMILESC[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C19H32ClNO3Si/c1-15(17(22)14-24-25(5,6)19(2,3)4)21(18(23)12-20)13-16-10-8-7-9-11-16/h7-11,15,17,22H,12-14H2,1-6H3/t15-,17+/m0/s1
InChIKeyLCSWFEIOMFUPOX-DOTOQJQBSA-N
XLogP4.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.01
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide?
The IUPAC name of N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide (CID 169228710) is N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide?
The canonical SMILES for N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide is C[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)C(=O)CCl.
What is the InChIKey of N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide?
The InChIKey is LCSWFEIOMFUPOX-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H32ClNO3Si/c1-15(17(22)14-24-25(5,6)19(2,3)4)21(18(23)12-20)13-16-10-8-7-9-11-16/h7-11,15,17,22H,12-14H2,1-6H3/t15-,17+/m0/s1.
What are the key properties of N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide?
N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide has a molecular weight of 386.01 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-yl]-2-chloroacetamide is sourced from PubChem (CID 169228710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).