2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

C12H23NO3 — CID 111543219

IUPAC2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESC=CCCOC(C)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C12H23NO3/c1-6-7-8-16-10(2)11(14)13(5)9-12(3,4)15/h6,10,15H,1,7-9H2,2-5H3
InChIKeyVWLFIHKMWIWMDW-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.20
Rot. Bonds7

About 2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (PubChem CID 111543219) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
PubChem CID111543219
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESC=CCCOC(C)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C12H23NO3/c1-6-7-8-16-10(2)11(14)13(5)9-12(3,4)15/h6,10,15H,1,7-9H2,2-5H3
InChIKeyVWLFIHKMWIWMDW-UHFFFAOYSA-N
XLogP1.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxypropanoic acid
CID 43128770
5-[[2-but-3-enoxypropanoyl(methyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119222237
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide
CID 79377276
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-propan-2-yloxyacetamide
CID 112696432
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-4-phenoxybutanamide
CID 111698199
(2S)-2-but-3-enoxy-N-(5-chloro-2-cyanophenyl)-N-methylpropanamide
CID 97228806
2-but-3-enoxy-N-[2-(methylamino)propyl]propanamide
CID 120828523
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methylbutanamide
CID 79377752
(2S)-2-(2-but-3-enoxypropanoylamino)propanoic acid
CID 103791004
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-prop-2-enoxybenzamide
CID 79380554
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 111543293
but-3-enyl 2-hydroxy-2-methylpropanoate
CID 18413295

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The IUPAC name of 2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (CID 111543219) is 2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.
What is the SMILES notation for 2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The canonical SMILES for 2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is C=CCCOC(C)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The InChIKey is VWLFIHKMWIWMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-7-8-16-10(2)11(14)13(5)9-12(3,4)15/h6,10,15H,1,7-9H2,2-5H3.
What are the key properties of 2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide has a molecular weight of 229.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is sourced from PubChem (CID 111543219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).