N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide

C10H19NO4 — CID 103849493

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide
SMILESCOCCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H19NO4/c1-14-5-2-3-9(12)11-7-10(13)4-6-15-8-10/h13H,2-8H2,1H3,(H,11,12)
InChIKeyPMJYVYWRDGAURU-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.32
Rot. Bonds6

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

N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide (PubChem CID 103849493) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide
PubChem CID103849493
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide
SMILESCOCCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C10H19NO4/c1-14-5-2-3-9(12)11-7-10(13)4-6-15-8-10/h13H,2-8H2,1H3,(H,11,12)
InChIKeyPMJYVYWRDGAURU-UHFFFAOYSA-N
XLogP-0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.32
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 N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide (CID 103849493) is N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide is COCCCC(=O)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide?
The InChIKey is PMJYVYWRDGAURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-14-5-2-3-9(12)11-7-10(13)4-6-15-8-10/h13H,2-8H2,1H3,(H,11,12).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide has a molecular weight of 217.26 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-4-methoxybutanamide is sourced from PubChem (CID 103849493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).