N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide

C8H15NO3 — CID 87898717

IUPACN-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(O)OCC
InChIInChI=1S/C8H15NO3/c1-4-12-7(10)5-9-8(11)6(2)3/h7,10H,2,4-5H2,1,3H3,(H,9,11)
InChIKeyWACSGJGRKMQQLK-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.03
Rot. Bonds5

About N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide

N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide (PubChem CID 87898717) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide
PubChem CID87898717
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(O)OCC
InChIInChI=1S/C8H15NO3/c1-4-12-7(10)5-9-8(11)6(2)3/h7,10H,2,4-5H2,1,3H3,(H,9,11)
InChIKeyWACSGJGRKMQQLK-UHFFFAOYSA-N
XLogP0.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-Dimethoxyethyl)methacrylamide
CID 3024509
Methacrylic acid dihydroxyethylamide
CID 18348297
N-[2-(1-hydroxyethoxy)ethyl]prop-2-enamide
CID 23167369
Methacrylamidoacetaldehyde di-n-pentyl acetal
CID 19745758
N-(2-Ethoxyethyl)-2-methylprop-2-enamide
CID 13955249
N-(2,2-dibutoxy-2-hydroxyethyl)-2-methylprop-2-enamide
CID 17907406
N-(2-ethoxy-2-hydroxyethyl)prop-2-enamide
CID 18477248
N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide
CID 18690233
N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide
CID 18690236
N-(1,1-diethoxypropan-2-yl)-2-methylprop-2-enamide
CID 19376123
N-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide
CID 19751194
N-(1,1-dimethoxypropan-2-yl)-2-methylprop-2-enamide
CID 21909751

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide (CID 87898717) is N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC(O)OCC.
What is the InChIKey of N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide?
The InChIKey is WACSGJGRKMQQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-12-7(10)5-9-8(11)6(2)3/h7,10H,2,4-5H2,1,3H3,(H,9,11).
What are the key properties of N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide?
N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide has a molecular weight of 173.21 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 87898717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).