2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide

C18H27NO3Si — CID 174054263

IUPAC2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide
SMILESCCCC[Si](C)(C)c1ccc(CC(=O)NC2CCOC2=O)cc1
InChIInChI=1S/C18H27NO3Si/c1-4-5-12-23(2,3)15-8-6-14(7-9-15)13-17(20)19-16-10-11-22-18(16)21/h6-9,16H,4-5,10-13H2,1-3H3,(H,19,20)
InChIKeyKUHQLDMDJNJCQL-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.38
Rot. Bonds7

About 2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide

2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide (PubChem CID 174054263) has the molecular formula C18H27NO3Si and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide
PubChem CID174054263
Molecular FormulaC18H27NO3Si
Molecular Weight333.50 g/mol
Exact Mass333.18
IUPAC Name2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide
SMILESCCCC[Si](C)(C)c1ccc(CC(=O)NC2CCOC2=O)cc1
InChIInChI=1S/C18H27NO3Si/c1-4-5-12-23(2,3)15-8-6-14(7-9-15)13-17(20)19-16-10-11-22-18(16)21/h6-9,16H,4-5,10-13H2,1-3H3,(H,19,20)
InChIKeyKUHQLDMDJNJCQL-UHFFFAOYSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 25014867
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide
CID 11499897
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
CID 11638617
N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide
CID 11173472
(Z)-N-(2-oxooxolan-3-yl)tetradec-7-enamide
CID 90324396
3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 146427195
3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide
CID 11515162
methane;3-oxo-N-(2-oxooxolan-3-yl)pentanamide
CID 159463313

Frequently Asked Questions

What is the IUPAC name of 2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide?
The IUPAC name of 2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide (CID 174054263) is 2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide.
What is the SMILES notation for 2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide?
The canonical SMILES for 2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide is CCCC[Si](C)(C)c1ccc(CC(=O)NC2CCOC2=O)cc1.
What is the InChIKey of 2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide?
The InChIKey is KUHQLDMDJNJCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3Si/c1-4-5-12-23(2,3)15-8-6-14(7-9-15)13-17(20)19-16-10-11-22-18(16)21/h6-9,16H,4-5,10-13H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide?
2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide has a molecular weight of 333.50 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[butyl(dimethyl)silyl]phenyl]-N-(2-oxooxolan-3-yl)acetamide is sourced from PubChem (CID 174054263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).