(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide

C14H25NO6 — CID 129085037

IUPAC(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide
SMILESCOCCOCCOCCOCCNC(=O)/C=C/C(C)=O
InChIInChI=1S/C14H25NO6/c1-13(16)3-4-14(17)15-5-6-19-9-10-21-12-11-20-8-7-18-2/h3-4H,5-12H2,1-2H3,(H,15,17)/b4-3+
InChIKeyNZPBMBDMBXLLPG-ONEGZZNKSA-N
MW303.35 g/mol
LogP-0.06
Rot. Bonds14

About (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide

(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide (PubChem CID 129085037) has the molecular formula C14H25NO6 and a molecular weight of 303.35 g/mol. Its IUPAC name is (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide
PubChem CID129085037
Molecular FormulaC14H25NO6
Molecular Weight303.35 g/mol
Exact Mass303.17
IUPAC Name(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide
SMILESCOCCOCCOCCOCCNC(=O)/C=C/C(C)=O
InChIInChI=1S/C14H25NO6/c1-13(16)3-4-14(17)15-5-6-19-9-10-21-12-11-20-8-7-18-2/h3-4H,5-12H2,1-2H3,(H,15,17)/b4-3+
InChIKeyNZPBMBDMBXLLPG-ONEGZZNKSA-N
XLogP-0.06
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide?
The IUPAC name of (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide (CID 129085037) is (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide.
What is the SMILES notation for (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide?
The canonical SMILES for (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide is COCCOCCOCCOCCNC(=O)/C=C/C(C)=O.
What is the InChIKey of (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide?
The InChIKey is NZPBMBDMBXLLPG-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H25NO6/c1-13(16)3-4-14(17)15-5-6-19-9-10-21-12-11-20-8-7-18-2/h3-4H,5-12H2,1-2H3,(H,15,17)/b4-3+.
What are the key properties of (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide?
(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide has a molecular weight of 303.35 g/mol, XLogP of -0.06, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide is sourced from PubChem (CID 129085037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).