N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide

C19H29NO2Si — CID 13434256

IUPACN-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide
SMILESCCOC(c1ccccc1)N(CCC#CC[Si](C)(C)C)C(C)=O
InChIInChI=1S/C19H29NO2Si/c1-6-22-19(18-13-9-7-10-14-18)20(17(2)21)15-11-8-12-16-23(3,4)5/h7,9-10,13-14,19H,6,11,15-16H2,1-5H3
InChIKeyVXWQYTFDBYIJON-UHFFFAOYSA-N
MW331.53 g/mol
LogP4.30
Rot. Bonds7

About N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide

N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide (PubChem CID 13434256) has the molecular formula C19H29NO2Si and a molecular weight of 331.53 g/mol. Its IUPAC name is N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide.

Molecular Properties

Compound NameN-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide
PubChem CID13434256
Molecular FormulaC19H29NO2Si
Molecular Weight331.53 g/mol
Exact Mass331.20
IUPAC NameN-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide
SMILESCCOC(c1ccccc1)N(CCC#CC[Si](C)(C)C)C(C)=O
InChIInChI=1S/C19H29NO2Si/c1-6-22-19(18-13-9-7-10-14-18)20(17(2)21)15-11-8-12-16-23(3,4)5/h7,9-10,13-14,19H,6,11,15-16H2,1-5H3
InChIKeyVXWQYTFDBYIJON-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide?
The IUPAC name of N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide (CID 13434256) is N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide.
What is the SMILES notation for N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide?
The canonical SMILES for N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide is CCOC(c1ccccc1)N(CCC#CC[Si](C)(C)C)C(C)=O.
What is the InChIKey of N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide?
The InChIKey is VXWQYTFDBYIJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2Si/c1-6-22-19(18-13-9-7-10-14-18)20(17(2)21)15-11-8-12-16-23(3,4)5/h7,9-10,13-14,19H,6,11,15-16H2,1-5H3.
What are the key properties of N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide?
N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide has a molecular weight of 331.53 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethoxy(phenyl)methyl]-N-(5-trimethylsilylpent-3-ynyl)acetamide is sourced from PubChem (CID 13434256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).