(E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide

C20H33NO2Si — CID 101476046

IUPAC(E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide
SMILESC/C=C/C(CC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C20H33NO2Si/c1-7-11-17(15-24(4,5)6)14-19(22)21(3)16(2)20(23)18-12-9-8-10-13-18/h7-13,16-17,20,23H,14-15H2,1-6H3/b11-7+/t16-,17?,20+/m0/s1
InChIKeyOUANOOVBQKUWIT-RGURONGQSA-N
MW347.58 g/mol
LogP4.49
Rot. Bonds8

About (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide

(E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide (PubChem CID 101476046) has the molecular formula C20H33NO2Si and a molecular weight of 347.58 g/mol. Its IUPAC name is (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide.

Molecular Properties

Compound Name(E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide
PubChem CID101476046
Molecular FormulaC20H33NO2Si
Molecular Weight347.58 g/mol
Exact Mass347.23
IUPAC Name(E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide
SMILESC/C=C/C(CC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C20H33NO2Si/c1-7-11-17(15-24(4,5)6)14-19(22)21(3)16(2)20(23)18-12-9-8-10-13-18/h7-13,16-17,20,23H,14-15H2,1-6H3/b11-7+/t16-,17?,20+/m0/s1
InChIKeyOUANOOVBQKUWIT-RGURONGQSA-N
XLogP4.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

D-erythro-MAPP
CID 124735
2-amino-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 1512505
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
N-(2-Hydroxy-1-methyl-2-phenylethyl)-N-methylacetamide
CID 27869
(1R,2S)-(+)-2-(Dibutylamino)-1-phenyl-1-propanol
CID 9903376
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 6610217
N,N-Diethyl-2-hydroxy-2-phenylacetamide
CID 121583
2-Fluoro-N-((1S,2S)-2-hydroxy-1-methyl-2-phenylethyl)-N-methylacetamide
CID 11790868
(1S,2R)-(-)-2-(Dibutylamino)-1-phenyl-1-propanol
CID 11003877
N-Acetyl-(+)-Pseudoephedrine
CID 11344789
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylformamide
CID 12218560
2-amino-N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 24761775

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide?
The IUPAC name of (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide (CID 101476046) is (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide.
What is the SMILES notation for (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide?
The canonical SMILES for (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide is C/C=C/C(CC(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)C[Si](C)(C)C.
What is the InChIKey of (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide?
The InChIKey is OUANOOVBQKUWIT-RGURONGQSA-N. The full InChI is InChI=1S/C20H33NO2Si/c1-7-11-17(15-24(4,5)6)14-19(22)21(3)16(2)20(23)18-12-9-8-10-13-18/h7-13,16-17,20,23H,14-15H2,1-6H3/b11-7+/t16-,17?,20+/m0/s1.
What are the key properties of (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide?
(E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide has a molecular weight of 347.58 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-(trimethylsilylmethyl)hex-4-enamide is sourced from PubChem (CID 101476046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).