(E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide

C11H19NO3 — CID 166975191

IUPAC(E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide
SMILESCCCC(=O)/C=C/C(=O)NCCOCC
InChIInChI=1S/C11H19NO3/c1-3-5-10(13)6-7-11(14)12-8-9-15-4-2/h6-7H,3-5,8-9H2,1-2H3,(H,12,14)/b7-6+
InChIKeyDWOFHIQBDKIPFF-VOTSOKGWSA-N
MW213.28 g/mol
LogP1.06
Rot. Bonds8

About (E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide

(E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide (PubChem CID 166975191) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide
PubChem CID166975191
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide
SMILESCCCC(=O)/C=C/C(=O)NCCOCC
InChIInChI=1S/C11H19NO3/c1-3-5-10(13)6-7-11(14)12-8-9-15-4-2/h6-7H,3-5,8-9H2,1-2H3,(H,12,14)/b7-6+
InChIKeyDWOFHIQBDKIPFF-VOTSOKGWSA-N
XLogP1.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide?
The IUPAC name of (E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide (CID 166975191) is (E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide.
What is the SMILES notation for (E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide?
The canonical SMILES for (E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide is CCCC(=O)/C=C/C(=O)NCCOCC.
What is the InChIKey of (E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide?
The InChIKey is DWOFHIQBDKIPFF-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-5-10(13)6-7-11(14)12-8-9-15-4-2/h6-7H,3-5,8-9H2,1-2H3,(H,12,14)/b7-6+.
What are the key properties of (E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide?
(E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide has a molecular weight of 213.28 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide is sourced from PubChem (CID 166975191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).