2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide

C11H21NO3 — CID 75389359

IUPAC2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO3/c1-3-9(4-2)10(13)12-7-11(14)5-6-15-8-11/h9,14H,3-8H2,1-2H3,(H,12,13)
InChIKeyNKGMAKODBQPXJN-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds5

About 2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide

2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide (PubChem CID 75389359) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
PubChem CID75389359
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
SMILESCCC(CC)C(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO3/c1-3-9(4-2)10(13)12-7-11(14)5-6-15-8-11/h9,14H,3-8H2,1-2H3,(H,12,13)
InChIKeyNKGMAKODBQPXJN-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
The IUPAC name of 2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide (CID 75389359) is 2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide is CCC(CC)C(=O)NCC1(O)CCOC1.
What is the InChIKey of 2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
The InChIKey is NKGMAKODBQPXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(4-2)10(13)12-7-11(14)5-6-15-8-11/h9,14H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide has a molecular weight of 215.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 75389359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).