ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide

C10H21NO4 — CID 19063261

IUPACethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide
SMILESC=CC(=O)NCOCC(C)C.OCCO
InChIInChI=1S/C8H15NO2.C2H6O2/c1-4-8(10)9-6-11-5-7(2)3;3-1-2-4/h4,7H,1,5-6H2,2-3H3,(H,9,10);3-4H,1-2H2
InChIKeyVUIHYYPJXLBVLS-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.11
Rot. Bonds6

About ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide

ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide (PubChem CID 19063261) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide.

Molecular Properties

Compound Nameethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide
PubChem CID19063261
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nameethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide
SMILESC=CC(=O)NCOCC(C)C.OCCO
InChIInChI=1S/C8H15NO2.C2H6O2/c1-4-8(10)9-6-11-5-7(2)3;3-1-2-4/h4,7H,1,5-6H2,2-3H3,(H,9,10);3-4H,1-2H2
InChIKeyVUIHYYPJXLBVLS-UHFFFAOYSA-N
XLogP-0.11
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide?
The IUPAC name of ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide (CID 19063261) is ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide.
What is the SMILES notation for ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide?
The canonical SMILES for ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide is C=CC(=O)NCOCC(C)C.OCCO.
What is the InChIKey of ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide?
The InChIKey is VUIHYYPJXLBVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H6O2/c1-4-8(10)9-6-11-5-7(2)3;3-1-2-4/h4,7H,1,5-6H2,2-3H3,(H,9,10);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide?
ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide has a molecular weight of 219.28 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;N-(2-methylpropoxymethyl)prop-2-enamide is sourced from PubChem (CID 19063261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).