N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide

C11H19NO4 — CID 166444620

IUPACN-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide
SMILESC=CCOCCC(=O)C(C)C(=O)N(C)OC
InChIInChI=1S/C11H19NO4/c1-5-7-16-8-6-10(13)9(2)11(14)12(3)15-4/h5,9H,1,6-8H2,2-4H3
InChIKeyLAUMWTXALFLECM-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.80
Rot. Bonds8

About N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide

N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide (PubChem CID 166444620) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide.

Molecular Properties

Compound NameN-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide
PubChem CID166444620
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC NameN-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide
SMILESC=CCOCCC(=O)C(C)C(=O)N(C)OC
InChIInChI=1S/C11H19NO4/c1-5-7-16-8-6-10(13)9(2)11(14)12(3)15-4/h5,9H,1,6-8H2,2-4H3
InChIKeyLAUMWTXALFLECM-UHFFFAOYSA-N
XLogP0.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.80
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-4-prop-2-enoxybutanamide
CID 166436887
2-oxo-4-prop-2-enoxybutanal
CID 142662076
2-methyl-3-[methyl(4-prop-2-enoxybutanoyl)amino]propanoic acid
CID 119228467
(4Z)-2-hydroxy-N-methoxy-N,5-dimethylocta-4,7-dienamide
CID 87672910
methyl 3-oxo-5-prop-2-enoxypentanoate
CID 11962008
(2S,3S)-3-(hydroxymethyl)-N-methoxy-N,2-dimethylpent-4-enamide
CID 130367251
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
(Z)-2,3-bis(2-prop-2-enoxyethyl)but-2-enedioic acid
CID 87907492
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
N-methoxy-N-methyl-2-prop-2-enoxyethanamine
CID 131107830
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide?
The IUPAC name of N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide (CID 166444620) is N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide.
What is the SMILES notation for N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide?
The canonical SMILES for N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide is C=CCOCCC(=O)C(C)C(=O)N(C)OC.
What is the InChIKey of N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide?
The InChIKey is LAUMWTXALFLECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-5-7-16-8-6-10(13)9(2)11(14)12(3)15-4/h5,9H,1,6-8H2,2-4H3.
What are the key properties of N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide?
N-methoxy-N,2-dimethyl-3-oxo-5-prop-2-enoxypentanamide has a molecular weight of 229.28 g/mol, XLogP of 0.80, 8 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-5-prop-2-enoxypentanamide is sourced from PubChem (CID 166444620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).