4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide

C16H31N3O5 — CID 58667835

IUPAC4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide
SMILESCNCCCCCC(=O)NCCNC(=O)C1CC(O)C(COC)O1
InChIInChI=1S/C16H31N3O5/c1-17-7-5-3-4-6-15(21)18-8-9-19-16(22)13-10-12(20)14(24-13)11-23-2/h12-14,17,20H,3-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKKFQSSUJRZLXRU-UHFFFAOYSA-N
MW345.44 g/mol
LogP-0.84
Rot. Bonds12

About 4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide

4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide (PubChem CID 58667835) has the molecular formula C16H31N3O5 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide
PubChem CID58667835
Molecular FormulaC16H31N3O5
Molecular Weight345.44 g/mol
Exact Mass345.23
IUPAC Name4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide
SMILESCNCCCCCC(=O)NCCNC(=O)C1CC(O)C(COC)O1
InChIInChI=1S/C16H31N3O5/c1-17-7-5-3-4-6-15(21)18-8-9-19-16(22)13-10-12(20)14(24-13)11-23-2/h12-14,17,20H,3-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKKFQSSUJRZLXRU-UHFFFAOYSA-N
XLogP-0.84
TPSA108.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide?
The IUPAC name of 4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide (CID 58667835) is 4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for 4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for 4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide is CNCCCCCC(=O)NCCNC(=O)C1CC(O)C(COC)O1.
What is the InChIKey of 4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide?
The InChIKey is KKFQSSUJRZLXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O5/c1-17-7-5-3-4-6-15(21)18-8-9-19-16(22)13-10-12(20)14(24-13)11-23-2/h12-14,17,20H,3-11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide?
4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide has a molecular weight of 345.44 g/mol, XLogP of -0.84, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(methoxymethyl)-N-[2-[6-(methylamino)hexanoylamino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 58667835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).