N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide

C18H22ClNOSi — CID 101412504

IUPACN-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCC(=O)N(C[Si](C)(Cl)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C18H22ClNOSi/c1-15(17-10-6-4-7-11-17)20(16(2)21)14-22(3,19)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3/t15-,22?/m0/s1
InChIKeyZGPPPYOKJQBUCJ-UEDXYCIISA-N
MW331.92 g/mol
LogP3.86
Rot. Bonds5

About N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide

N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 101412504) has the molecular formula C18H22ClNOSi and a molecular weight of 331.92 g/mol. Its IUPAC name is N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID101412504
Molecular FormulaC18H22ClNOSi
Molecular Weight331.92 g/mol
Exact Mass331.12
IUPAC NameN-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCC(=O)N(C[Si](C)(Cl)c1ccccc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C18H22ClNOSi/c1-15(17-10-6-4-7-11-17)20(16(2)21)14-22(3,19)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3/t15-,22?/m0/s1
InChIKeyZGPPPYOKJQBUCJ-UEDXYCIISA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.92
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(fluoro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide
CID 101412503
N-[[fluoro(dimethyl)silyl]methyl]-N-[(1S)-1-phenylethyl]acetamide
CID 101234105
N-[[dimethyl(propan-2-yloxy)silyl]methyl]-N-[(1S)-1-phenylethyl]acetamide
CID 101412499
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
N-methyl-N-[(1S)-1-phenylethyl]-1-trimethylsilylformamide
CID 102208486
2-[acetyl(1-phenylethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113162118
2-[acetyl(1-phenylethyl)amino]-N-(4-chlorophenyl)acetamide
CID 113162054
2-[acetyl(1-phenylethyl)amino]-N-benzyl-N-propan-2-ylacetamide
CID 113162014
N-[2-[acetyl(1-phenylethyl)amino]ethyl]propanamide
CID 113054420
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940

Frequently Asked Questions

What is the IUPAC name of N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide (CID 101412504) is N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide is CC(=O)N(C[Si](C)(Cl)c1ccccc1)[C@@H](C)c1ccccc1.
What is the InChIKey of N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is ZGPPPYOKJQBUCJ-UEDXYCIISA-N. The full InChI is InChI=1S/C18H22ClNOSi/c1-15(17-10-6-4-7-11-17)20(16(2)21)14-22(3,19)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3/t15-,22?/m0/s1.
What are the key properties of N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide?
N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 331.92 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(chloro-methyl-phenylsilyl)methyl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 101412504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).