3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide

C12H21NO3 — CID 174911277

IUPAC3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide
SMILESCCC(=C(C)C(N)=O)C(CC)OCC1CO1
InChIInChI=1S/C12H21NO3/c1-4-10(8(3)12(13)14)11(5-2)16-7-9-6-15-9/h9,11H,4-7H2,1-3H3,(H2,13,14)
InChIKeyPAELPXIIZVVJDV-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.39
Rot. Bonds7

About 3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide

3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide (PubChem CID 174911277) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide.

Molecular Properties

Compound Name3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide
PubChem CID174911277
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide
SMILESCCC(=C(C)C(N)=O)C(CC)OCC1CO1
InChIInChI=1S/C12H21NO3/c1-4-10(8(3)12(13)14)11(5-2)16-7-9-6-15-9/h9,11H,4-7H2,1-3H3,(H2,13,14)
InChIKeyPAELPXIIZVVJDV-UHFFFAOYSA-N
XLogP1.39
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(oxiran-2-ylmethyl) 2-ethylpropanedioate
CID 141095093
2-[2-[3-(oxiran-2-ylmethoxy)hex-1-en-2-yloxy]hex-1-en-3-yloxymethyl]oxirane
CID 175223439
2-(1-chlorobutan-2-yloxymethyl)oxirane
CID 58763744
oxiran-2-ylmethyl 4-carbamoyl-2,2-dimethylhexanoate
CID 21350463
hydroxy-[1-(oxiran-2-ylmethoxy)propyl]silane
CID 173054354
(E)-2-(oxiran-2-ylmethoxy)pent-2-enamide
CID 89415069
1-(oxiran-2-ylmethoxy)ethanamine
CID 130292873
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834
2-(oxan-2-ylmethoxy)butanehydrazide
CID 63576275
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
2-(propan-2-yloxymethyl)oxirane
CID 159998967
oxiran-2-ylmethyl 2-ethyl-4-methylhexanoate
CID 59408322

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide?
The IUPAC name of 3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide (CID 174911277) is 3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide.
What is the SMILES notation for 3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide?
The canonical SMILES for 3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide is CCC(=C(C)C(N)=O)C(CC)OCC1CO1.
What is the InChIKey of 3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide?
The InChIKey is PAELPXIIZVVJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-4-10(8(3)12(13)14)11(5-2)16-7-9-6-15-9/h9,11H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of 3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide?
3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide has a molecular weight of 227.30 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-4-(oxiran-2-ylmethoxy)hex-2-enamide is sourced from PubChem (CID 174911277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).