3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium

C11H25N2O3+ — CID 21040770

IUPAC3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium
SMILESCOCC(O)C[N+](C)(C)CCCNC(C)=O
InChIInChI=1S/C11H24N2O3/c1-10(14)12-6-5-7-13(2,3)8-11(15)9-16-4/h11,15H,5-9H2,1-4H3/p+1
InChIKeyWWRJPDRFGDKXRF-UHFFFAOYSA-O
MW233.33 g/mol
LogP-0.40
Rot. Bonds8

About 3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium

3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium (PubChem CID 21040770) has the molecular formula C11H25N2O3+ and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium.

Molecular Properties

Compound Name3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium
PubChem CID21040770
Molecular FormulaC11H25N2O3+
Molecular Weight233.33 g/mol
Exact Mass233.19
IUPAC Name3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium
SMILESCOCC(O)C[N+](C)(C)CCCNC(C)=O
InChIInChI=1S/C11H24N2O3/c1-10(14)12-6-5-7-13(2,3)8-11(15)9-16-4/h11,15H,5-9H2,1-4H3/p+1
InChIKeyWWRJPDRFGDKXRF-UHFFFAOYSA-O
XLogP-0.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium?
The IUPAC name of 3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium (CID 21040770) is 3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium.
What is the SMILES notation for 3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium?
The canonical SMILES for 3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium is COCC(O)C[N+](C)(C)CCCNC(C)=O.
What is the InChIKey of 3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium?
The InChIKey is WWRJPDRFGDKXRF-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H24N2O3/c1-10(14)12-6-5-7-13(2,3)8-11(15)9-16-4/h11,15H,5-9H2,1-4H3/p+1.
What are the key properties of 3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium?
3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium has a molecular weight of 233.33 g/mol, XLogP of -0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidopropyl-(2-hydroxy-3-methoxypropyl)-dimethylazanium is sourced from PubChem (CID 21040770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).