(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide

C30H55NO3Si — CID 134917931

IUPAC(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide
SMILESCCCC[C@H](CCO[Si](CCCC)(CCCC)CCCC)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C30H55NO3Si/c1-7-11-18-28(30(33)31(6)26(5)29(32)27-19-16-15-17-20-27)21-22-34-35(23-12-8-2,24-13-9-3)25-14-10-4/h15-17,19-20,26,28-29,32H,7-14,18,21-25H2,1-6H3/t26-,28+,29+/m0/s1
InChIKeyCRXPZLFEDHOXGN-WIIGKZCBSA-N
MW505.86 g/mol
LogP8.13
Rot. Bonds20

About (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide

(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide (PubChem CID 134917931) has the molecular formula C30H55NO3Si and a molecular weight of 505.86 g/mol. Its IUPAC name is (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide
PubChem CID134917931
Molecular FormulaC30H55NO3Si
Molecular Weight505.86 g/mol
Exact Mass505.40
IUPAC Name(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide
SMILESCCCC[C@H](CCO[Si](CCCC)(CCCC)CCCC)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C30H55NO3Si/c1-7-11-18-28(30(33)31(6)26(5)29(32)27-19-16-15-17-20-27)21-22-34-35(23-12-8-2,24-13-9-3)25-14-10-4/h15-17,19-20,26,28-29,32H,7-14,18,21-25H2,1-6H3/t26-,28+,29+/m0/s1
InChIKeyCRXPZLFEDHOXGN-WIIGKZCBSA-N
XLogP8.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.86
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide with MolForge

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Related Compounds

D-erythro-MAPP
CID 124735
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
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CID 27869
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
N-Acetyl-(+)-Pseudoephedrine
CID 11344789
N-[(2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761779
N-(2-hydroxy-2-phenylethyl)tetradecanamide
CID 71454780
N-[(1S,2S)-2-Hydroxy-1-methyl-2-phenylethyl]-N-methylbenzeneacetamide
CID 15337649
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 44454902
(Z)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]octadec-9-enamide
CID 172454681

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide?
The IUPAC name of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide (CID 134917931) is (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide.
What is the SMILES notation for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide?
The canonical SMILES for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide is CCCC[C@H](CCO[Si](CCCC)(CCCC)CCCC)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide?
The InChIKey is CRXPZLFEDHOXGN-WIIGKZCBSA-N. The full InChI is InChI=1S/C30H55NO3Si/c1-7-11-18-28(30(33)31(6)26(5)29(32)27-19-16-15-17-20-27)21-22-34-35(23-12-8-2,24-13-9-3)25-14-10-4/h15-17,19-20,26,28-29,32H,7-14,18,21-25H2,1-6H3/t26-,28+,29+/m0/s1.
What are the key properties of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide?
(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide has a molecular weight of 505.86 g/mol, XLogP of 8.13, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-(2-tributylsilyloxyethyl)hexanamide is sourced from PubChem (CID 134917931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).