N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide

C16H21NO2Si — CID 23088120

IUPACN-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide
SMILESCC(=O)C(CC#C[Si](C)(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C16H21NO2Si/c1-13(18)15(11-8-12-20(2,3)4)17-16(19)14-9-6-5-7-10-14/h5-7,9-10,15H,11H2,1-4H3,(H,17,19)
InChIKeyKGRLVMIDWSUBRV-UHFFFAOYSA-N
MW287.44 g/mol
LogP2.64
Rot. Bonds4

About N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide

N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide (PubChem CID 23088120) has the molecular formula C16H21NO2Si and a molecular weight of 287.44 g/mol. Its IUPAC name is N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide
PubChem CID23088120
Molecular FormulaC16H21NO2Si
Molecular Weight287.44 g/mol
Exact Mass287.13
IUPAC NameN-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide
SMILESCC(=O)C(CC#C[Si](C)(C)C)NC(=O)c1ccccc1
InChIInChI=1S/C16H21NO2Si/c1-13(18)15(11-8-12-20(2,3)4)17-16(19)14-9-6-5-7-10-14/h5-7,9-10,15H,11H2,1-4H3,(H,17,19)
InChIKeyKGRLVMIDWSUBRV-UHFFFAOYSA-N
XLogP2.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzamido-4-methyl-5-oxohexanoic acid
CID 139610506
benzyl 3-benzamido-4-oxopentanoate
CID 19261358
(2R)-3-acetylsulfanyl-2-benzamidopropanoic acid
CID 22837359
(2S)-2-benzamido-3-bromopropanoic acid
CID 134897553
N-[(2S)-1-amino-4-hydroxy-1-oxobutan-2-yl]benzamide
CID 121216577
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 6993422
methyl 2-benzamido-4-methylpent-4-enoate
CID 14493675
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide?
The IUPAC name of N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide (CID 23088120) is N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide.
What is the SMILES notation for N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide?
The canonical SMILES for N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide is CC(=O)C(CC#C[Si](C)(C)C)NC(=O)c1ccccc1.
What is the InChIKey of N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide?
The InChIKey is KGRLVMIDWSUBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2Si/c1-13(18)15(11-8-12-20(2,3)4)17-16(19)14-9-6-5-7-10-14/h5-7,9-10,15H,11H2,1-4H3,(H,17,19).
What are the key properties of N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide?
N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide has a molecular weight of 287.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-6-trimethylsilylhex-5-yn-3-yl)benzamide is sourced from PubChem (CID 23088120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).