3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide

C11H22INO6 — CID 134581672

IUPAC3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide
SMILESCOCC(O)COCCOCCOCCC(=O)NI
InChIInChI=1S/C11H22INO6/c1-16-8-10(14)9-19-7-6-18-5-4-17-3-2-11(15)13-12/h10,14H,2-9H2,1H3,(H,13,15)
InChIKeyTYXUKNNWIXDTCO-UHFFFAOYSA-N
MW391.20 g/mol
LogP-0.10
Rot. Bonds13

About 3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide

3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide (PubChem CID 134581672) has the molecular formula C11H22INO6 and a molecular weight of 391.20 g/mol. Its IUPAC name is 3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide.

Molecular Properties

Compound Name3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide
PubChem CID134581672
Molecular FormulaC11H22INO6
Molecular Weight391.20 g/mol
Exact Mass391.05
IUPAC Name3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide
SMILESCOCC(O)COCCOCCOCCC(=O)NI
InChIInChI=1S/C11H22INO6/c1-16-8-10(14)9-19-7-6-18-5-4-17-3-2-11(15)13-12/h10,14H,2-9H2,1H3,(H,13,15)
InChIKeyTYXUKNNWIXDTCO-UHFFFAOYSA-N
XLogP-0.10
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxy-3-methoxypropoxy)propanamide
CID 172515689
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
1-[2-(2-methoxyethoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 104561126
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
3-[2-(2-methoxyethoxy)ethoxy]-N-methylpropanamide
CID 58019725
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylpropanamide
CID 129207576
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]propanehydrazide
CID 118988091
3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide
CID 141007752
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide?
The IUPAC name of 3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide (CID 134581672) is 3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide.
What is the SMILES notation for 3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide?
The canonical SMILES for 3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide is COCC(O)COCCOCCOCCC(=O)NI.
What is the InChIKey of 3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide?
The InChIKey is TYXUKNNWIXDTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22INO6/c1-16-8-10(14)9-19-7-6-18-5-4-17-3-2-11(15)13-12/h10,14H,2-9H2,1H3,(H,13,15).
What are the key properties of 3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide?
3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide has a molecular weight of 391.20 g/mol, XLogP of -0.10, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-hydroxy-3-methoxypropoxy)ethoxy]ethoxy]-N-iodopropanamide is sourced from PubChem (CID 134581672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).