ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide

C10H23NO4 — CID 135223256

IUPACethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCOCC.OCCO
InChIInChI=1S/C4H7NO.C4H10O.C2H6O2/c1-3(2)4(5)6;1-3-5-4-2;3-1-2-4/h1H2,2H3,(H2,5,6);3-4H2,1-2H3;3-4H,1-2H2
InChIKeyWTUVDBLQDIJROR-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.06
Rot. Bonds4

About ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide

ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide (PubChem CID 135223256) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide
PubChem CID135223256
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC Nameethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCOCC.OCCO
InChIInChI=1S/C4H7NO.C4H10O.C2H6O2/c1-3(2)4(5)6;1-3-5-4-2;3-1-2-4/h1H2,2H3,(H2,5,6);3-4H2,1-2H3;3-4H,1-2H2
InChIKeyWTUVDBLQDIJROR-UHFFFAOYSA-N
XLogP0.06
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;ethene;ethoxyethane
CID 173171004
ethane-1,2-diol;ethene;ethoxyethane
CID 173009607
ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate
CID 173061128
tris(ethane-1,2-diol);ethoxyethane
CID 173395808
hexane-1,6-diol;bis(2-methylprop-2-enamide)
CID 122530831
ethane-1,2-diol;ethoxyethane;propyl acetate
CID 87069783
2-methylprop-2-enamide;hydrate
CID 88749193
ethoxyethane;2-methylprop-1-ene
CID 19913928
2-methylprop-2-enamide;prop-2-en-1-ol
CID 174804195
ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
CID 146319223
dodecane;bis(2-methylprop-2-enamide)
CID 87149534
ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
CID 87074537

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide?
The IUPAC name of ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide (CID 135223256) is ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide.
What is the SMILES notation for ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide?
The canonical SMILES for ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide is C=C(C)C(N)=O.CCOCC.OCCO.
What is the InChIKey of ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide?
The InChIKey is WTUVDBLQDIJROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H10O.C2H6O2/c1-3(2)4(5)6;1-3-5-4-2;3-1-2-4/h1H2,2H3,(H2,5,6);3-4H2,1-2H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide?
ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide has a molecular weight of 221.30 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide is sourced from PubChem (CID 135223256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).