N-methyl-4-(2-trimethylsilylethynyl)benzamide

C13H17NOSi — CID 68847986

IUPACN-methyl-4-(2-trimethylsilylethynyl)benzamide
SMILESCNC(=O)c1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C13H17NOSi/c1-14-13(15)12-7-5-11(6-8-12)9-10-16(2,3)4/h5-8H,1-4H3,(H,14,15)
InChIKeyJEMBMRBSHXPDAX-UHFFFAOYSA-N
MW231.37 g/mol
LogP2.28
Rot. Bonds1

About N-methyl-4-(2-trimethylsilylethynyl)benzamide

N-methyl-4-(2-trimethylsilylethynyl)benzamide (PubChem CID 68847986) has the molecular formula C13H17NOSi and a molecular weight of 231.37 g/mol. Its IUPAC name is N-methyl-4-(2-trimethylsilylethynyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(2-trimethylsilylethynyl)benzamide
PubChem CID68847986
Molecular FormulaC13H17NOSi
Molecular Weight231.37 g/mol
Exact Mass231.11
IUPAC NameN-methyl-4-(2-trimethylsilylethynyl)benzamide
SMILESCNC(=O)c1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C13H17NOSi/c1-14-13(15)12-7-5-11(6-8-12)9-10-16(2,3)4/h5-8H,1-4H3,(H,14,15)
InChIKeyJEMBMRBSHXPDAX-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-methyl-4-prop-1-ynylbenzamide
CID 126551972
phenyl-[4-(2-trimethylsilylethynyl)phenyl]methanone
CID 15849413
4-(4-trimethylsilylbuta-1,3-diynyl)benzoic acid
CID 141099093
4-ethynyl-N-methylbenzamide
CID 14596430
4-(2-trimethylsilylethynyl)phenol
CID 10750210
ethane;4-ethynyl-N-methylbenzamide
CID 178156727
2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid
CID 19957500
4-(3-cyanoprop-1-ynyl)-N-methylbenzamide
CID 170475275
4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
CID 11843653
4-(4-cyanophenyl)-N-methylbenzamide
CID 130318851
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-trimethylsilylethynyl)benzamide?
The IUPAC name of N-methyl-4-(2-trimethylsilylethynyl)benzamide (CID 68847986) is N-methyl-4-(2-trimethylsilylethynyl)benzamide.
What is the SMILES notation for N-methyl-4-(2-trimethylsilylethynyl)benzamide?
The canonical SMILES for N-methyl-4-(2-trimethylsilylethynyl)benzamide is CNC(=O)c1ccc(C#C[Si](C)(C)C)cc1.
What is the InChIKey of N-methyl-4-(2-trimethylsilylethynyl)benzamide?
The InChIKey is JEMBMRBSHXPDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOSi/c1-14-13(15)12-7-5-11(6-8-12)9-10-16(2,3)4/h5-8H,1-4H3,(H,14,15).
What are the key properties of N-methyl-4-(2-trimethylsilylethynyl)benzamide?
N-methyl-4-(2-trimethylsilylethynyl)benzamide has a molecular weight of 231.37 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-trimethylsilylethynyl)benzamide is sourced from PubChem (CID 68847986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).