N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide

C20H33NO3Si — CID 87677147

IUPACN-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide
SMILESCC(=O)N[C@](C)(CCc1ccc(C=O)cc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO3Si/c1-16(23)21-20(5,15-24-25(6,7)19(2,3)4)13-12-17-8-10-18(14-22)11-9-17/h8-11,14H,12-13,15H2,1-7H3,(H,21,23)/t20-/m1/s1
InChIKeyYBARLXGCHFAZPB-HXUWFJFHSA-N
MW363.57 g/mol
LogP4.35
Rot. Bonds8

About N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide

N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide (PubChem CID 87677147) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide
PubChem CID87677147
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC NameN-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide
SMILESCC(=O)N[C@](C)(CCc1ccc(C=O)cc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO3Si/c1-16(23)21-20(5,15-24-25(6,7)19(2,3)4)13-12-17-8-10-18(14-22)11-9-17/h8-11,14H,12-13,15H2,1-7H3,(H,21,23)/t20-/m1/s1
InChIKeyYBARLXGCHFAZPB-HXUWFJFHSA-N
XLogP4.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.57
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide (CID 87677147) is N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide is CC(=O)N[C@](C)(CCc1ccc(C=O)cc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide?
The InChIKey is YBARLXGCHFAZPB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-16(23)21-20(5,15-24-25(6,7)19(2,3)4)13-12-17-8-10-18(14-22)11-9-17/h8-11,14H,12-13,15H2,1-7H3,(H,21,23)/t20-/m1/s1.
What are the key properties of N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide?
N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide has a molecular weight of 363.57 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-formylphenyl)-2-methylbutan-2-yl]acetamide is sourced from PubChem (CID 87677147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).