N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide

C10H17NO4 — CID 166436887

IUPACN-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide
SMILESC=CCOCC(=O)C(C)C(=O)N(C)OC
InChIInChI=1S/C10H17NO4/c1-5-6-15-7-9(12)8(2)10(13)11(3)14-4/h5,8H,1,6-7H2,2-4H3
InChIKeyUUKLZYPBZMMMAY-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.41
Rot. Bonds7

About N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide

N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide (PubChem CID 166436887) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide.

Molecular Properties

Compound NameN-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide
PubChem CID166436887
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC NameN-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide
SMILESC=CCOCC(=O)C(C)C(=O)N(C)OC
InChIInChI=1S/C10H17NO4/c1-5-6-15-7-9(12)8(2)10(13)11(3)14-4/h5,8H,1,6-7H2,2-4H3
InChIKeyUUKLZYPBZMMMAY-UHFFFAOYSA-N
XLogP0.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide
CID 166444620
(2S,3S)-3-(hydroxymethyl)-N-methoxy-N,2-dimethylpent-4-enamide
CID 130367251
(4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide
CID 87672910
N-methoxy-N,2-dimethylbutanamide;2-methylbutanal
CID 160908077
N-methoxy-N,2,4-trimethylpentanamide
CID 161245608
(3S,4S)-3,4,5-trihydroxy-1-prop-2-enoxypentan-2-one
CID 54142770
2-[(E)-hex-2-en-3-yl]-N-methoxy-N-methylhex-5-enamide;propane
CID 142240632
(E)-2-but-3-enyl-N-methoxy-N,3,7-trimethyloct-3-enamide
CID 142240628
prop-2-enyl 2-methyl-3-oxopentanoate
CID 11805176
3,4,5,6-tetrahydroxy-1-prop-2-enoxyhexan-2-one
CID 13054444
2-prop-2-enoxyacetate
CID 19028340
methyl 2-(prop-2-enoxymethyl)but-2-enoate
CID 156786172

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide?
The IUPAC name of N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide (CID 166436887) is N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide.
What is the SMILES notation for N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide?
The canonical SMILES for N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide is C=CCOCC(=O)C(C)C(=O)N(C)OC.
What is the InChIKey of N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide?
The InChIKey is UUKLZYPBZMMMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-5-6-15-7-9(12)8(2)10(13)11(3)14-4/h5,8H,1,6-7H2,2-4H3.
What are the key properties of N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide?
N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide has a molecular weight of 215.25 g/mol, XLogP of 0.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,2-dimethyl-3-oxo-4-prop-2-enoxybutanamide is sourced from PubChem (CID 166436887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).