N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide

C18H28ClNOSi — CID 134877113

IUPACN-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide
SMILESCC(=O)N(CCC/C=C\C[Si](C)(C)C)C(Cl)c1ccccc1
InChIInChI=1S/C18H28ClNOSi/c1-16(21)20(18(19)17-12-8-7-9-13-17)14-10-5-6-11-15-22(2,3)4/h6-9,11-13,18H,5,10,14-15H2,1-4H3/b11-6-
InChIKeyHZBZZXWEDVKGFP-WDZFZDKYSA-N
MW337.97 g/mol
LogP5.45
Rot. Bonds8

About N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide

N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide (PubChem CID 134877113) has the molecular formula C18H28ClNOSi and a molecular weight of 337.97 g/mol. Its IUPAC name is N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide.

Molecular Properties

Compound NameN-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide
PubChem CID134877113
Molecular FormulaC18H28ClNOSi
Molecular Weight337.97 g/mol
Exact Mass337.16
IUPAC NameN-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide
SMILESCC(=O)N(CCC/C=C\C[Si](C)(C)C)C(Cl)c1ccccc1
InChIInChI=1S/C18H28ClNOSi/c1-16(21)20(18(19)17-12-8-7-9-13-17)14-10-5-6-11-15-22(2,3)4/h6-9,11-13,18H,5,10,14-15H2,1-4H3/b11-6-
InChIKeyHZBZZXWEDVKGFP-WDZFZDKYSA-N
XLogP5.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.97
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-Dibenzyl-2-chloroacetamide
CID 220099
N-benzyl-2-chloro-N-ethylacetamide
CID 2392406
N-benzyl-2-chloro-N-methylacetamide
CID 4639192
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-propylacetamide
CID 15136822
N-benzyl-2-chloro-N-methylpropanamide
CID 3583515
1-Benzyl-3-(chloromethyl)-3-methylazetidin-2-one
CID 15179344
N-Benzyl-2-chloro-N-isopropyl-acetamide
CID 2384365
N-((4-(chloromethyl)phenyl)methyl)acetamide
CID 15550682
N-benzyl-2-[ditert-butyl(fluoro)silyl]acetamide
CID 72704094
N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide
CID 72704095
(R,E)-N-Benzyl-N-[(R,E)-2,4-dimethyl-5-oxo-5-(pyrrolidin-1-yl) pent-3-en-5-yl]-5-chloro-2,4-dimethylpent-3-enamide
CID 53470465
(E)-N-butyl-4-chloro-N-[(4-chlorophenyl)methyl]pent-2-enamide
CID 13101247

Frequently Asked Questions

What is the IUPAC name of N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide?
The IUPAC name of N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide (CID 134877113) is N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide.
What is the SMILES notation for N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide?
The canonical SMILES for N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide is CC(=O)N(CCC/C=C\C[Si](C)(C)C)C(Cl)c1ccccc1.
What is the InChIKey of N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide?
The InChIKey is HZBZZXWEDVKGFP-WDZFZDKYSA-N. The full InChI is InChI=1S/C18H28ClNOSi/c1-16(21)20(18(19)17-12-8-7-9-13-17)14-10-5-6-11-15-22(2,3)4/h6-9,11-13,18H,5,10,14-15H2,1-4H3/b11-6-.
What are the key properties of N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide?
N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide has a molecular weight of 337.97 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[chloro(phenyl)methyl]-N-[(Z)-6-trimethylsilylhex-4-enyl]acetamide is sourced from PubChem (CID 134877113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).