6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide

C13H24N2O4 — CID 103849372

IUPAC6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C13H24N2O4/c1-11(16)14-7-4-2-3-5-12(17)15-9-13(18)6-8-19-10-13/h18H,2-10H2,1H3,(H,14,16)(H,15,17)
InChIKeySGSUCSQMMBWVPT-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.05
Rot. Bonds8

About 6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide

6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide (PubChem CID 103849372) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
PubChem CID103849372
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide
SMILESCC(=O)NCCCCCC(=O)NCC1(O)CCOC1
InChIInChI=1S/C13H24N2O4/c1-11(16)14-7-4-2-3-5-12(17)15-9-13(18)6-8-19-10-13/h18H,2-10H2,1H3,(H,14,16)(H,15,17)
InChIKeySGSUCSQMMBWVPT-UHFFFAOYSA-N
XLogP-0.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
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 6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
The IUPAC name of 6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide (CID 103849372) is 6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide.
What is the SMILES notation for 6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
The canonical SMILES for 6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide is CC(=O)NCCCCCC(=O)NCC1(O)CCOC1.
What is the InChIKey of 6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
The InChIKey is SGSUCSQMMBWVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-11(16)14-7-4-2-3-5-12(17)15-9-13(18)6-8-19-10-13/h18H,2-10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide?
6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide has a molecular weight of 272.34 g/mol, XLogP of -0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[(3-hydroxyoxolan-3-yl)methyl]hexanamide is sourced from PubChem (CID 103849372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).