N-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide

C20H34ClNO3Si — CID 131747391

IUPACN-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide
SMILESCC(Cl)C(=O)N(Cc1ccccc1)[C@H](CO)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34ClNO3Si/c1-15(21)19(24)22(13-17-11-9-8-10-12-17)18(14-23)16(2)25-26(6,7)20(3,4)5/h8-12,15-16,18,23H,13-14H2,1-7H3/t15?,16-,18-/m1/s1
InChIKeySGLQKJVSQVGCMF-WOEZKJSCSA-N
MW400.04 g/mol
LogP4.41
Rot. Bonds8

About N-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide

N-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide (PubChem CID 131747391) has the molecular formula C20H34ClNO3Si and a molecular weight of 400.04 g/mol. Its IUPAC name is N-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide.

Molecular Properties

Compound NameN-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide
PubChem CID131747391
Molecular FormulaC20H34ClNO3Si
Molecular Weight400.04 g/mol
Exact Mass399.20
IUPAC NameN-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide
SMILESCC(Cl)C(=O)N(Cc1ccccc1)[C@H](CO)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34ClNO3Si/c1-15(21)19(24)22(13-17-11-9-8-10-12-17)18(14-23)16(2)25-26(6,7)20(3,4)5/h8-12,15-16,18,23H,13-14H2,1-7H3/t15?,16-,18-/m1/s1
InChIKeySGLQKJVSQVGCMF-WOEZKJSCSA-N
XLogP4.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.04
LogP ≤ 54.41
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-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide?
The IUPAC name of N-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide (CID 131747391) is N-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide.
What is the SMILES notation for N-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide?
The canonical SMILES for N-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide is CC(Cl)C(=O)N(Cc1ccccc1)[C@H](CO)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide?
The InChIKey is SGLQKJVSQVGCMF-WOEZKJSCSA-N. The full InChI is InChI=1S/C20H34ClNO3Si/c1-15(21)19(24)22(13-17-11-9-8-10-12-17)18(14-23)16(2)25-26(6,7)20(3,4)5/h8-12,15-16,18,23H,13-14H2,1-7H3/t15?,16-,18-/m1/s1.
What are the key properties of N-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide?
N-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide has a molecular weight of 400.04 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxybutan-2-yl]-2-chloropropanamide is sourced from PubChem (CID 131747391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).