N-(2,4,5-trimethyloxolan-3-yl)butanamide

C11H21NO2 — CID 22896095

IUPACN-(2,4,5-trimethyloxolan-3-yl)butanamide
SMILESCCCC(=O)NC1C(C)OC(C)C1C
InChIInChI=1S/C11H21NO2/c1-5-6-10(13)12-11-7(2)8(3)14-9(11)4/h7-9,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyRRSWGWRDJAQZBX-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.71
Rot. Bonds3

About N-(2,4,5-trimethyloxolan-3-yl)butanamide

N-(2,4,5-trimethyloxolan-3-yl)butanamide (PubChem CID 22896095) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2,4,5-trimethyloxolan-3-yl)butanamide.

Molecular Properties

Compound NameN-(2,4,5-trimethyloxolan-3-yl)butanamide
PubChem CID22896095
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2,4,5-trimethyloxolan-3-yl)butanamide
SMILESCCCC(=O)NC1C(C)OC(C)C1C
InChIInChI=1S/C11H21NO2/c1-5-6-10(13)12-11-7(2)8(3)14-9(11)4/h7-9,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyRRSWGWRDJAQZBX-UHFFFAOYSA-N
XLogP1.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,4,5-trimethyloxolan-3-yl)butanamide?
The IUPAC name of N-(2,4,5-trimethyloxolan-3-yl)butanamide (CID 22896095) is N-(2,4,5-trimethyloxolan-3-yl)butanamide.
What is the SMILES notation for N-(2,4,5-trimethyloxolan-3-yl)butanamide?
The canonical SMILES for N-(2,4,5-trimethyloxolan-3-yl)butanamide is CCCC(=O)NC1C(C)OC(C)C1C.
What is the InChIKey of N-(2,4,5-trimethyloxolan-3-yl)butanamide?
The InChIKey is RRSWGWRDJAQZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-10(13)12-11-7(2)8(3)14-9(11)4/h7-9,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-(2,4,5-trimethyloxolan-3-yl)butanamide?
N-(2,4,5-trimethyloxolan-3-yl)butanamide has a molecular weight of 199.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,5-trimethyloxolan-3-yl)butanamide is sourced from PubChem (CID 22896095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).