4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide

C11H21NO4 — CID 103848956

IUPAC4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
SMILESCCOCCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO4/c1-2-15-6-3-4-10(13)12-8-11(14)5-7-16-9-11/h14H,2-9H2,1H3,(H,12,13)
InChIKeyMFIXEKQVZBXGSI-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.07
Rot. Bonds7

About 4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide

4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide (PubChem CID 103848956) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
PubChem CID103848956
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
SMILESCCOCCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO4/c1-2-15-6-3-4-10(13)12-8-11(14)5-7-16-9-11/h14H,2-9H2,1H3,(H,12,13)
InChIKeyMFIXEKQVZBXGSI-UHFFFAOYSA-N
XLogP0.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
The IUPAC name of 4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide (CID 103848956) is 4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
The canonical SMILES for 4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide is CCOCCCC(=O)NCC1(O)CCOC1.
What is the InChIKey of 4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
The InChIKey is MFIXEKQVZBXGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-2-15-6-3-4-10(13)12-8-11(14)5-7-16-9-11/h14H,2-9H2,1H3,(H,12,13).
What are the key properties of 4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide?
4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide has a molecular weight of 231.29 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 103848956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).