2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide

C22H31NO2Si — CID 91753978

IUPAC2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
SMILESCCC(C(=O)N[C@@H](C)[C@@H](O[Si](C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NO2Si/c1-6-20(18-13-9-7-10-14-18)22(24)23-17(2)21(25-26(3,4)5)19-15-11-8-12-16-19/h7-17,20-21H,6H2,1-5H3,(H,23,24)/t17-,20?,21+/m0/s1
InChIKeyNOHAOBDJBVQZRR-ADFYKPTQSA-N
MW369.58 g/mol
LogP5.28
Rot. Bonds8

About 2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide

2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide (PubChem CID 91753978) has the molecular formula C22H31NO2Si and a molecular weight of 369.58 g/mol. Its IUPAC name is 2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
PubChem CID91753978
Molecular FormulaC22H31NO2Si
Molecular Weight369.58 g/mol
Exact Mass369.21
IUPAC Name2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide
SMILESCCC(C(=O)N[C@@H](C)[C@@H](O[Si](C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NO2Si/c1-6-20(18-13-9-7-10-14-18)22(24)23-17(2)21(25-26(3,4)5)19-15-11-8-12-16-19/h7-17,20-21H,6H2,1-5H3,(H,23,24)/t17-,20?,21+/m0/s1
InChIKeyNOHAOBDJBVQZRR-ADFYKPTQSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.58
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 597400
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
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D-erythro-MAPP
CID 124735
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 6610217
Benzeneacetamide, N-ethyl-alpha-hydroxy-alpha-phenyl-
CID 202245
Benzeneacetamide, alpha-hydroxy-N-(1-methylethyl)-alpha-phenyl-
CID 3043303
N-(2,4-dimethylpentan-3-yl)-2-methoxy-2-phenylacetamide
CID 2897080
2-hydroxy-2-phenyl-N-(2-phenylethyl)heptanamide
CID 11174765
2-hydroxy-2-phenyl-N-(3-phenylpropyl)butanamide
CID 11243450
2-hydroxy-2-phenyl-N-(3-phenylpropyl)heptanamide
CID 11427771
N-butyl-2-hydroxy-2,2-diphenylacetamide
CID 24286581
2-hydroxy-2-phenyl-N-(2-phenylethyl)butanamide
CID 11737661

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide?
The IUPAC name of 2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide (CID 91753978) is 2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide.
What is the SMILES notation for 2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide?
The canonical SMILES for 2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide is CCC(C(=O)N[C@@H](C)[C@@H](O[Si](C)(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide?
The InChIKey is NOHAOBDJBVQZRR-ADFYKPTQSA-N. The full InChI is InChI=1S/C22H31NO2Si/c1-6-20(18-13-9-7-10-14-18)22(24)23-17(2)21(25-26(3,4)5)19-15-11-8-12-16-19/h7-17,20-21H,6H2,1-5H3,(H,23,24)/t17-,20?,21+/m0/s1.
What are the key properties of 2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide?
2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide has a molecular weight of 369.58 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]butanamide is sourced from PubChem (CID 91753978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).