6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide

C13H26N2O4 — CID 59985910

IUPAC6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide
SMILES[3H]C1CC(NC(=O)CCCCCNOC)C(COC)O1
InChIInChI=1S/C13H26N2O4/c1-17-10-12-11(7-9-19-12)15-13(16)6-4-3-5-8-14-18-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)/i9T
InChIKeyDFPIFYNKMUGQNL-FIRFLZKJSA-N
MW276.37 g/mol
LogP0.62
Rot. Bonds10

About 6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide

6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide (PubChem CID 59985910) has the molecular formula C13H26N2O4 and a molecular weight of 276.37 g/mol. Its IUPAC name is 6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide.

Molecular Properties

Compound Name6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide
PubChem CID59985910
Molecular FormulaC13H26N2O4
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC Name6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide
SMILES[3H]C1CC(NC(=O)CCCCCNOC)C(COC)O1
InChIInChI=1S/C13H26N2O4/c1-17-10-12-11(7-9-19-12)15-13(16)6-4-3-5-8-14-18-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)/i9T
InChIKeyDFPIFYNKMUGQNL-FIRFLZKJSA-N
XLogP0.62
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-acetamido-N-[2-(methoxymethyl)oxolan-3-yl]hexanamide
CID 20762870
N,N'-dicyclopropyldecanediamide
CID 4668836
N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide
CID 134836320
N,N'-dimethoxyhexane-1,6-diamine
CID 58288617
N-(2-methyloxolan-3-yl)decanamide
CID 146252174
N-[2-(dodecanoylamino)cyclohexyl]dodecanamide
CID 10299379
N,N'-bis[4-(oxiran-2-ylmethoxy)butyl]nonanediamide
CID 88622123
trans-methyl (1S,2S)-2-(dodecanoylamino)cyclobutane-1-carboxylate
CID 177480938
N-[(1S,3S,4R)-3-hydroxy-2-methoxy-4-(methoxymethyl)cyclopentyl]hexadecanamide;yttrium
CID 168847524
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
6-[(2-methoxyphenyl)methylamino]-N-[(1R,2R)-2-[6-[(2-methoxyphenyl)methylamino]hexanoylamino]cyclohexyl]hexanamide
CID 25149358

Frequently Asked Questions

What is the IUPAC name of 6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide?
The IUPAC name of 6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide (CID 59985910) is 6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide.
What is the SMILES notation for 6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide?
The canonical SMILES for 6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide is [3H]C1CC(NC(=O)CCCCCNOC)C(COC)O1.
What is the InChIKey of 6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide?
The InChIKey is DFPIFYNKMUGQNL-FIRFLZKJSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-17-10-12-11(7-9-19-12)15-13(16)6-4-3-5-8-14-18-2/h11-12,14H,3-10H2,1-2H3,(H,15,16)/i9T.
What are the key properties of 6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide?
6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide has a molecular weight of 276.37 g/mol, XLogP of 0.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide is sourced from PubChem (CID 59985910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).