N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide

C8H18N2O3 — CID 54223303

IUPACN-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide
SMILESCCN(OCC(O)CNC)C(C)=O
InChIInChI=1S/C8H18N2O3/c1-4-10(7(2)11)13-6-8(12)5-9-3/h8-9,12H,4-6H2,1-3H3
InChIKeyQECWYVOGUIQZOI-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.63
Rot. Bonds6

About N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide

N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide (PubChem CID 54223303) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide
PubChem CID54223303
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC NameN-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide
SMILESCCN(OCC(O)CNC)C(C)=O
InChIInChI=1S/C8H18N2O3/c1-4-10(7(2)11)13-6-8(12)5-9-3/h8-9,12H,4-6H2,1-3H3
InChIKeyQECWYVOGUIQZOI-UHFFFAOYSA-N
XLogP-0.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide?
The IUPAC name of N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide (CID 54223303) is N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide.
What is the SMILES notation for N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide?
The canonical SMILES for N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide is CCN(OCC(O)CNC)C(C)=O.
What is the InChIKey of N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide?
The InChIKey is QECWYVOGUIQZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-4-10(7(2)11)13-6-8(12)5-9-3/h8-9,12H,4-6H2,1-3H3.
What are the key properties of N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide?
N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide has a molecular weight of 190.24 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-hydroxy-3-(methylamino)propoxy]acetamide is sourced from PubChem (CID 54223303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).