N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide

C10H19NO3 — CID 89248968

IUPACN-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(C)(C)CCO
InChIInChI=1S/C10H19NO3/c1-4-9(13)11-6-8-14-10(2,3)5-7-12/h4,12H,1,5-8H2,2-3H3,(H,11,13)
InChIKeySARQFMNOPOMULN-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.47
Rot. Bonds7

About N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide

N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide (PubChem CID 89248968) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide
PubChem CID89248968
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(C)(C)CCO
InChIInChI=1S/C10H19NO3/c1-4-9(13)11-6-8-14-10(2,3)5-7-12/h4,12H,1,5-8H2,2-3H3,(H,11,13)
InChIKeySARQFMNOPOMULN-UHFFFAOYSA-N
XLogP0.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]acetamide
CID 88884080
N-[1-(2-methylbutan-2-yloxy)butan-2-yl]prop-2-enamide
CID 88937389
N-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropyl]prop-2-enamide
CID 130438593
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide
CID 138750490
N-[2-(2-methylhexan-2-yloxy)ethyl]prop-2-enamide
CID 138750986
N-[2-(3-hydroxy-3-methylbutoxy)ethyl]prop-2-enamide
CID 139483585
N-[2-[2-[2-(2-methylbutan-2-yloxy)ethoxy]ethoxy]ethyl]prop-2-enamide
CID 146385360
N-[3-(3-hydroxy-3-methylbutoxy)-3-methylbutyl]prop-2-enamide
CID 153341756
N-[2-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropyl]prop-2-enamide
CID 156403838
N-(3-butoxy-3-methylbutyl)prop-2-enamide;3-methoxypropan-1-ol
CID 156710755
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen
CID 160911040
[2-Methyl-4-[2-(prop-2-enoylamino)ethoxy]butan-2-yl]-[2-(prop-2-enoylamino)ethyl]oxidanium
CID 164048657

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide?
The IUPAC name of N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide (CID 89248968) is N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide?
The canonical SMILES for N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide is C=CC(=O)NCCOC(C)(C)CCO.
What is the InChIKey of N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide?
The InChIKey is SARQFMNOPOMULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-9(13)11-6-8-14-10(2,3)5-7-12/h4,12H,1,5-8H2,2-3H3,(H,11,13).
What are the key properties of N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide?
N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide has a molecular weight of 201.27 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl]prop-2-enamide is sourced from PubChem (CID 89248968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).