2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide

C9H20N2O4 — CID 162238372

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide
SMILESC=CC(N)=O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H5NO/c8-4-1-7(2-5-9)3-6-10;1-2-3(4)5/h8-10H,1-6H2;2H,1H2,(H2,4,5)
InChIKeyZWJGGFXLLWCHMO-UHFFFAOYSA-N
MW220.27 g/mol
LogP-2.08
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide

2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide (PubChem CID 162238372) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide
PubChem CID162238372
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide
SMILESC=CC(N)=O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H5NO/c8-4-1-7(2-5-9)3-6-10;1-2-3(4)5/h8-10H,1-6H2;2H,1H2,(H2,4,5)
InChIKeyZWJGGFXLLWCHMO-UHFFFAOYSA-N
XLogP-2.08
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N'-Bis(2-hydroxyethyl)-N'-acryloyl-1,3-diaminopropane
CID 131338
N-{3-[bis(2-hydroxyethyl)amino]propyl}prop-2-enamide
CID 9942587
(E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide
CID 15325393
2-[2-[Bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;tetrakis(prop-2-enamide)
CID 20370156
(E)-N',N'-bis(2-hydroxyethyl)but-2-enediamide
CID 24768982
N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide
CID 53664444
N',N'-bis(2-hydroxyethyl)but-2-enediamide
CID 54420788
N-methyl-N-hydroxyethyl Acrylamide N,N-dimethyl Acrylamide
CID 86586140
N-(2-hydroxyethyl)acrylamide N,N-dimethylacrylamide
CID 86674668
2-(2-hydroxyethylamino)ethanol;N-methylprop-2-enamide
CID 87130037
N,N-bis(hydroxymethyl)prop-2-enamide;N-ethyl-N-(2-hydroxyethyl)prop-2-enamide
CID 87839337
Bis(2-hydroxyethyl)-prop-2-enoyl-(prop-2-enoylamino)azanium
CID 87910115

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide (CID 162238372) is 2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide is C=CC(N)=O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide?
The InChIKey is ZWJGGFXLLWCHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C3H5NO/c8-4-1-7(2-5-9)3-6-10;1-2-3(4)5/h8-10H,1-6H2;2H,1H2,(H2,4,5).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide?
2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide has a molecular weight of 220.27 g/mol, XLogP of -2.08, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;prop-2-enamide is sourced from PubChem (CID 162238372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).