N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide

C8H15NO4 — CID 18690236

IUPACN-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)C(OC)OC
InChIInChI=1S/C8H15NO4/c1-5(2)6(10)9-7(11)8(12-3)13-4/h7-8,11H,1H2,2-4H3,(H,9,10)
InChIKeyUMACUNWFNRWEOW-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.38
Rot. Bonds5

About N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide

N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide (PubChem CID 18690236) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide
PubChem CID18690236
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC NameN-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)C(OC)OC
InChIInChI=1S/C8H15NO4/c1-5(2)6(10)9-7(11)8(12-3)13-4/h7-8,11H,1H2,2-4H3,(H,9,10)
InChIKeyUMACUNWFNRWEOW-UHFFFAOYSA-N
XLogP-0.38
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N-(1-hydroxy-2,2-dimethoxyethyl)prop-2-enamide
CID 4192512
N-(2,2-Diethoxy-1-hydroxyethyl)prop-2-enamide
CID 13982975
2-methyl-N-(1,2,2-trimethoxyethyl)prop-2-enamide
CID 18690232
N-(2,2-dibutoxy-1-hydroxyethyl)-2-methylprop-2-enamide
CID 18690233
N-(1,1-dihydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide
CID 22034982
N-[2-(2-Hydroxyethoxy)ethyl]-2-methylprop-2-enamide
CID 22381451
N-(1,3-dioxolan-2-ylmethyl)-2-methylprop-2-enamide
CID 69908467
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-2-methylprop-2-enamide
CID 86121757
N-(2-ethoxy-2-hydroxyethyl)-2-methylprop-2-enamide
CID 87898717
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 88155872
1,1-dimethoxyethane;N-(1-hydroxypropan-2-yl)-2-methylprop-2-enamide
CID 88446755

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide (CID 18690236) is N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(O)C(OC)OC.
What is the InChIKey of N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide?
The InChIKey is UMACUNWFNRWEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(2)6(10)9-7(11)8(12-3)13-4/h7-8,11H,1H2,2-4H3,(H,9,10).
What are the key properties of N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide?
N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide has a molecular weight of 189.21 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,2-dimethoxyethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 18690236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).