2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide

C8H18N2O5 — CID 174799065

IUPAC2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide
SMILESC=CC(N)=O.CN(OCCO)OCCO
InChIInChI=1S/C5H13NO4.C3H5NO/c1-6(9-4-2-7)10-5-3-8;1-2-3(4)5/h7-8H,2-5H2,1H3;2H,1H2,(H2,4,5)
InChIKeyCOZIAGPUXBLHHV-UHFFFAOYSA-N
MW222.24 g/mol
LogP-1.58
Rot. Bonds7

About 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide

2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide (PubChem CID 174799065) has the molecular formula C8H18N2O5 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide.

Molecular Properties

Compound Name2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide
PubChem CID174799065
Molecular FormulaC8H18N2O5
Molecular Weight222.24 g/mol
Exact Mass222.12
IUPAC Name2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide
SMILESC=CC(N)=O.CN(OCCO)OCCO
InChIInChI=1S/C5H13NO4.C3H5NO/c1-6(9-4-2-7)10-5-3-8;1-2-3(4)5/h7-8H,2-5H2,1H3;2H,1H2,(H2,4,5)
InChIKeyCOZIAGPUXBLHHV-UHFFFAOYSA-N
XLogP-1.58
TPSA105.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethoxy(methyl)amino]oxyethanol;hydrofluoride
CID 173050654
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;prop-2-enamide
CID 135223188
2-[2-hydroxyethoxy(methyl)amino]oxyethanol;methanesulfonic acid
CID 175015105
prop-2-enamide;ruthenium
CID 90254548
2-aminoethanol;prop-2-enamide
CID 160789080
ethane-1,2-diamine;bis(prop-2-enamide)
CID 23336954
2-[ethyl(2-hydroxyethoxy)amino]oxyethanol;2-[2-hydroxyethoxy(methyl)amino]oxyethanol
CID 87918272
CID 172708986
CID 172708986
methanamine;prop-2-enamide;hydrate
CID 174696935
acetamide;prop-2-enamide
CID 158566181
N,N-dimethylpropan-1-amine;bis(prop-2-enamide)
CID 158610265
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide?
The IUPAC name of 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide (CID 174799065) is 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide.
What is the SMILES notation for 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide?
The canonical SMILES for 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide is C=CC(N)=O.CN(OCCO)OCCO.
What is the InChIKey of 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide?
The InChIKey is COZIAGPUXBLHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4.C3H5NO/c1-6(9-4-2-7)10-5-3-8;1-2-3(4)5/h7-8H,2-5H2,1H3;2H,1H2,(H2,4,5).
What are the key properties of 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide?
2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide has a molecular weight of 222.24 g/mol, XLogP of -1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethoxy(methyl)amino]oxyethanol;prop-2-enamide is sourced from PubChem (CID 174799065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).