(E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide

C11H21NO4 — CID 139943346

IUPAC(E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide
SMILESCCOCCOCC(C)(O)/C=C(\C)C(N)=O
InChIInChI=1S/C11H21NO4/c1-4-15-5-6-16-8-11(3,14)7-9(2)10(12)13/h7,14H,4-6,8H2,1-3H3,(H2,12,13)/b9-7+
InChIKeyOIJZVKUGTNVXSO-VQHVLOKHSA-N
MW231.29 g/mol
LogP0.22
Rot. Bonds8

About (E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide

(E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide (PubChem CID 139943346) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is (E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide
PubChem CID139943346
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name(E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide
SMILESCCOCCOCC(C)(O)/C=C(\C)C(N)=O
InChIInChI=1S/C11H21NO4/c1-4-15-5-6-16-8-11(3,14)7-9(2)10(12)13/h7,14H,4-6,8H2,1-3H3,(H2,12,13)/b9-7+
InChIKeyOIJZVKUGTNVXSO-VQHVLOKHSA-N
XLogP0.22
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-ethoxyethoxy)-2-methylpent-2-enamide
CID 87862268
1-(2-ethoxyethoxy)-2-methylpropan-2-ol
CID 20617821
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid
CID 169225729
acetic acid;1,2-diethoxyethane;ethane-1,2-diamine
CID 161203479
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
ethoxyethane;methyl carbamate
CID 18755981
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
(E)-2,4,4-trimethyl-6-oxohept-2-enamide
CID 88789893
2-(2-ethoxyethoxy)ethyl acetate;2-(2-propoxyethoxy)ethyl acetate
CID 162060487
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885

Frequently Asked Questions

What is the IUPAC name of (E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide?
The IUPAC name of (E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide (CID 139943346) is (E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide is CCOCCOCC(C)(O)/C=C(\C)C(N)=O.
What is the InChIKey of (E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide?
The InChIKey is OIJZVKUGTNVXSO-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-15-5-6-16-8-11(3,14)7-9(2)10(12)13/h7,14H,4-6,8H2,1-3H3,(H2,12,13)/b9-7+.
What are the key properties of (E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide?
(E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide has a molecular weight of 231.29 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(2-ethoxyethoxy)-4-hydroxy-2,4-dimethylpent-2-enamide is sourced from PubChem (CID 139943346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).