(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide

C20H33NO3Si — CID 59712846

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide
SMILESCC(=O)C[C@H](CC(=O)N[C@@H](C)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO3Si/c1-15(22)13-18(24-25(6,7)20(3,4)5)14-19(23)21-16(2)17-11-9-8-10-12-17/h8-12,16,18H,13-14H2,1-7H3,(H,21,23)/t16-,18+/m0/s1
InChIKeyBNDOBWUXGPEJSP-FUHWJXTLSA-N
MW363.57 g/mol
LogP4.62
Rot. Bonds8

About (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide

(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide (PubChem CID 59712846) has the molecular formula C20H33NO3Si and a molecular weight of 363.57 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide
PubChem CID59712846
Molecular FormulaC20H33NO3Si
Molecular Weight363.57 g/mol
Exact Mass363.22
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide
SMILESCC(=O)C[C@H](CC(=O)N[C@@H](C)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO3Si/c1-15(22)13-18(24-25(6,7)20(3,4)5)14-19(23)21-16(2)17-11-9-8-10-12-17/h8-12,16,18H,13-14H2,1-7H3,(H,21,23)/t16-,18+/m0/s1
InChIKeyBNDOBWUXGPEJSP-FUHWJXTLSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-phenylethyl)-3-trimethylsilylbutanamide
CID 101207602
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
(3S)-4,4,4-trichloro-3-hydroxy-N-[(1R)-1-phenylethyl]butanamide
CID 2412800
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
3-[[tert-butyl(dimethyl)silyl]oxy-phenylmethyl]but-3-en-2-one
CID 102483532
methyl 4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-4-phenylbutanoate
CID 23729831
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide (CID 59712846) is (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide is CC(=O)C[C@H](CC(=O)N[C@@H](C)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide?
The InChIKey is BNDOBWUXGPEJSP-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H33NO3Si/c1-15(22)13-18(24-25(6,7)20(3,4)5)14-19(23)21-16(2)17-11-9-8-10-12-17/h8-12,16,18H,13-14H2,1-7H3,(H,21,23)/t16-,18+/m0/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide?
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide has a molecular weight of 363.57 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-N-[(1S)-1-phenylethyl]hexanamide is sourced from PubChem (CID 59712846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).