N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide

C8H15NO2 — CID 19357498

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)(C)CO
InChIInChI=1S/C8H15NO2/c1-6(2)7(11)9-8(3,4)5-10/h10H,1,5H2,2-4H3,(H,9,11)
InChIKeyKKWYAVYQRXQSAZ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide (PubChem CID 19357498) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide
PubChem CID19357498
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)(C)CO
InChIInChI=1S/C8H15NO2/c1-6(2)7(11)9-8(3,4)5-10/h10H,1,5H2,2-4H3,(H,9,11)
InChIKeyKKWYAVYQRXQSAZ-UHFFFAOYSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propenamide, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-2-methyl-
CID 6452178
N-(1-Hydroxybutan-2-yl)-2-methylprop-2-enamide
CID 12051523
N-(2-hydroxy-t-butyl) acrylamide
CID 15145670
N-[(2R)-1-hydroxybutan-2-yl]-2-methylprop-2-enamide
CID 15442908
N-Methacryloyl-2-methylalanine
CID 13795977
N-[1,4-dihydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylprop-2-enamide
CID 19019213
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide
CID 19357482
N-(4-hydroxy-2-methylbutan-2-yl)-2-methylprop-2-enamide
CID 19357492
2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide
CID 19428817
N-(2-hydroxyacetyl)-2-methylprop-2-enamide
CID 20448899
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methylprop-2-enamide
CID 20603688
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]prop-2-enamide
CID 20603689

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide (CID 19357498) is N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide?
The InChIKey is KKWYAVYQRXQSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)7(11)9-8(3,4)5-10/h10H,1,5H2,2-4H3,(H,9,11).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide has a molecular weight of 157.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 19357498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).