3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide

C14H20N2OSi — CID 170876009

IUPAC3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide
SMILESC[Si](C)(C)C#Cc1ccccc1C(N)CC(N)=O
InChIInChI=1S/C14H20N2OSi/c1-18(2,3)9-8-11-6-4-5-7-12(11)13(15)10-14(16)17/h4-7,13H,10,15H2,1-3H3,(H2,16,17)
InChIKeyNWXGRDCQWWCVHT-UHFFFAOYSA-N
MW260.41 g/mol
LogP1.79
Rot. Bonds3

About 3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide

3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide (PubChem CID 170876009) has the molecular formula C14H20N2OSi and a molecular weight of 260.41 g/mol. Its IUPAC name is 3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide
PubChem CID170876009
Molecular FormulaC14H20N2OSi
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide
SMILESC[Si](C)(C)C#Cc1ccccc1C(N)CC(N)=O
InChIInChI=1S/C14H20N2OSi/c1-18(2,3)9-8-11-6-4-5-7-12(11)13(15)10-14(16)17/h4-7,13H,10,15H2,1-3H3,(H2,16,17)
InChIKeyNWXGRDCQWWCVHT-UHFFFAOYSA-N
XLogP1.79
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
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-[2-(2-trimethylsilylethynyl)phenyl]butanamide
CID 86712268
3-amino-3-(2-trimethylsilyloxyphenyl)propanamide
CID 170875762
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
diethyl 2-[[2-(2-trimethylsilylethynyl)phenyl]methyl]propanedioate
CID 57409375
ethyl 2-[2-(2-trimethylsilylethynyl)phenoxy]acetate
CID 57415176
2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide
CID 170876373
(3S)-3-amino-3-(2-methylquinolin-4-yl)propanamide
CID 79237707
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
methyl 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzoate
CID 170876384
3-amino-3-(2,3,4-trimethylphenyl)propanamide
CID 116850990
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide?
The IUPAC name of 3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide (CID 170876009) is 3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide?
The canonical SMILES for 3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide is C[Si](C)(C)C#Cc1ccccc1C(N)CC(N)=O.
What is the InChIKey of 3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide?
The InChIKey is NWXGRDCQWWCVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OSi/c1-18(2,3)9-8-11-6-4-5-7-12(11)13(15)10-14(16)17/h4-7,13H,10,15H2,1-3H3,(H2,16,17).
What are the key properties of 3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide?
3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide has a molecular weight of 260.41 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[2-(2-trimethylsilylethynyl)phenyl]propanamide is sourced from PubChem (CID 170876009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).