(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide

C15H25NO4 — CID 58348969

IUPAC(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCOCCOCC(=O)C/C=C\CC
InChIInChI=1S/C15H25NO4/c1-3-5-6-8-14(17)13-20-12-11-19-10-9-16-15(18)7-4-2/h4-7H,3,8-13H2,1-2H3,(H,16,18)/b6-5-,7-4+
InChIKeyZCSZSUXQULABFM-IUQJDUBZSA-N
MW283.37 g/mol
LogP1.64
Rot. Bonds12

About (E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide

(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide (PubChem CID 58348969) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide
PubChem CID58348969
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide
SMILESC/C=C/C(=O)NCCOCCOCC(=O)C/C=C\CC
InChIInChI=1S/C15H25NO4/c1-3-5-6-8-14(17)13-20-12-11-19-10-9-16-15(18)7-4-2/h4-7H,3,8-13H2,1-2H3,(H,16,18)/b6-5-,7-4+
InChIKeyZCSZSUXQULABFM-IUQJDUBZSA-N
XLogP1.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethyl]prop-2-enamide
CID 59966791
carbon dioxide;(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide
CID 123786050
N-[2-[(E)-2-oxohex-3-enoxy]ethyl]but-3-enamide
CID 123876095
(E)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-oxopent-2-enamide
CID 129085037
(E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide
CID 138726684
(E)-4-methyl-N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]pent-2-enamide
CID 138726688
N-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethyl]cyclopenta-1,4-diene-1-carboxamide
CID 163721839
(E)-N-(2-ethoxyethyl)-4-oxohept-2-enamide
CID 166975191
(Z)-N-(2-butoxyethyl)-5-methyl-4-oxohex-2-enamide
CID 167221926
(E)-5-methyl-N-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-oxohex-2-enamide
CID 167420658
(E)-5-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]-4-oxohex-2-enamide
CID 167420659
(Z)-5-methyl-4-oxo-N-[2-(2-propan-2-yloxyethoxy)ethyl]hex-2-enamide
CID 167420662

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide?
The IUPAC name of (E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide (CID 58348969) is (E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide.
What is the SMILES notation for (E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide?
The canonical SMILES for (E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide is C/C=C/C(=O)NCCOCCOCC(=O)C/C=C\CC.
What is the InChIKey of (E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide?
The InChIKey is ZCSZSUXQULABFM-IUQJDUBZSA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-5-6-8-14(17)13-20-12-11-19-10-9-16-15(18)7-4-2/h4-7H,3,8-13H2,1-2H3,(H,16,18)/b6-5-,7-4+.
What are the key properties of (E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide?
(E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide has a molecular weight of 283.37 g/mol, XLogP of 1.64, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-[(Z)-2-oxohept-4-enoxy]ethoxy]ethyl]but-2-enamide is sourced from PubChem (CID 58348969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).