2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide

C14H23NO2S — CID 112605407

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide
SMILESCCCC(NC(=O)COC(C)(C)C)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-5-7-11(12-8-6-9-18-12)15-13(16)10-17-14(2,3)4/h6,8-9,11H,5,7,10H2,1-4H3,(H,15,16)
InChIKeyZDHDFWRXONXLRF-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.52
Rot. Bonds6

About 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide

2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide (PubChem CID 112605407) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide
PubChem CID112605407
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide
SMILESCCCC(NC(=O)COC(C)(C)C)c1cccs1
InChIInChI=1S/C14H23NO2S/c1-5-7-11(12-8-6-9-18-12)15-13(16)10-17-14(2,3)4/h6,8-9,11H,5,7,10H2,1-4H3,(H,15,16)
InChIKeyZDHDFWRXONXLRF-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide (CID 112605407) is 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide is CCCC(NC(=O)COC(C)(C)C)c1cccs1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide?
The InChIKey is ZDHDFWRXONXLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-5-7-11(12-8-6-9-18-12)15-13(16)10-17-14(2,3)4/h6,8-9,11H,5,7,10H2,1-4H3,(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide has a molecular weight of 269.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-2-ylbutyl)acetamide is sourced from PubChem (CID 112605407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).