(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen

C11H21NO3 — CID 171558068

IUPAC(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen
SMILESCCOCCNC(=O)/C=C/C(=O)C(C)C.[H][H]
InChIInChI=1S/C11H19NO3.H2/c1-4-15-8-7-12-11(14)6-5-10(13)9(2)3;/h5-6,9H,4,7-8H2,1-3H3,(H,12,14);1H/b6-5+;
InChIKeyITHQUGHLMMKWKH-IPZCTEOASA-N
MW215.29 g/mol
LogP1.17
Rot. Bonds7

About (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen

(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen (PubChem CID 171558068) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen.

Molecular Properties

Compound Name(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen
PubChem CID171558068
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen
SMILESCCOCCNC(=O)/C=C/C(=O)C(C)C.[H][H]
InChIInChI=1S/C11H19NO3.H2/c1-4-15-8-7-12-11(14)6-5-10(13)9(2)3;/h5-6,9H,4,7-8H2,1-3H3,(H,12,14);1H/b6-5+;
InChIKeyITHQUGHLMMKWKH-IPZCTEOASA-N
XLogP1.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-methyl-4-oxo-N-(2-propoxyethyl)hex-2-enamide
CID 178008368
ethane;(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;N-(2-methoxyethyl)-5,5-dimethyl-4-oxoheptanamide;molecular hydrogen
CID 167448013
(E)-N-(2-ethoxyethyl)-4-oxohex-2-enamide
CID 174204849
molecular hydrogen;(E)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
CID 167491604
(Z)-4-oxo-N-(2-propan-2-yloxyethyl)hex-2-enamide
CID 178007868
N-(2-ethoxyethyl)-2-(3-methyl-2-oxobutoxy)acetamide;molecular hydrogen
CID 156820587
5-ethoxy-N-[2-(2-propan-2-yloxyethoxy)ethyl]pentanamide;molecular hydrogen
CID 177338018
(E)-4-oxo-4-(2-propan-2-yloxyethylamino)but-2-enoic acid
CID 104759078
(E)-4-oxo-N-(2-propoxyethyl)pent-2-enamide
CID 167491660
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
(E)-5-methyl-4-oxo-N-[3-oxo-4-[[3-oxo-4-(propylamino)pentyl]amino]pentyl]hex-2-enamide
CID 166975006
tert-butyl N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 177223683

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen?
The IUPAC name of (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen (CID 171558068) is (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen.
What is the SMILES notation for (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen?
The canonical SMILES for (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen is CCOCCNC(=O)/C=C/C(=O)C(C)C.[H][H].
What is the InChIKey of (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen?
The InChIKey is ITHQUGHLMMKWKH-IPZCTEOASA-N. The full InChI is InChI=1S/C11H19NO3.H2/c1-4-15-8-7-12-11(14)6-5-10(13)9(2)3;/h5-6,9H,4,7-8H2,1-3H3,(H,12,14);1H/b6-5+;.
What are the key properties of (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen?
(E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen has a molecular weight of 215.29 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethoxyethyl)-5-methyl-4-oxohex-2-enamide;molecular hydrogen is sourced from PubChem (CID 171558068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).