2,4,5-trimethyl-N-propyloxolane-3-carboxamide

C11H21NO2 — CID 65155197

IUPAC2,4,5-trimethyl-N-propyloxolane-3-carboxamide
SMILESCCCNC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C11H21NO2/c1-5-6-12-11(13)10-7(2)8(3)14-9(10)4/h7-10H,5-6H2,1-4H3,(H,12,13)
InChIKeyYSWMCURWSNNGOC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds3

About 2,4,5-trimethyl-N-propyloxolane-3-carboxamide

2,4,5-trimethyl-N-propyloxolane-3-carboxamide (PubChem CID 65155197) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-propyloxolane-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-propyloxolane-3-carboxamide
PubChem CID65155197
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2,4,5-trimethyl-N-propyloxolane-3-carboxamide
SMILESCCCNC(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C11H21NO2/c1-5-6-12-11(13)10-7(2)8(3)14-9(10)4/h7-10H,5-6H2,1-4H3,(H,12,13)
InChIKeyYSWMCURWSNNGOC-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-propyloxolane-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-propyloxolane-3-carboxamide (CID 65155197) is 2,4,5-trimethyl-N-propyloxolane-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-propyloxolane-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-propyloxolane-3-carboxamide is CCCNC(=O)C1C(C)OC(C)C1C.
What is the InChIKey of 2,4,5-trimethyl-N-propyloxolane-3-carboxamide?
The InChIKey is YSWMCURWSNNGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-12-11(13)10-7(2)8(3)14-9(10)4/h7-10H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2,4,5-trimethyl-N-propyloxolane-3-carboxamide?
2,4,5-trimethyl-N-propyloxolane-3-carboxamide has a molecular weight of 199.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-propyloxolane-3-carboxamide is sourced from PubChem (CID 65155197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).