(E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide

C15H27NO4 — CID 138726684

IUPAC(E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide
SMILESCC(C)/C=C/C(=O)NCCOCCOCC(=O)C(C)C
InChIInChI=1S/C15H27NO4/c1-12(2)5-6-15(18)16-7-8-19-9-10-20-11-14(17)13(3)4/h5-6,12-13H,7-11H2,1-4H3,(H,16,18)/b6-5+
InChIKeyYDKTWFPMJAJNIR-AATRIKPKSA-N
MW285.38 g/mol
LogP1.57
Rot. Bonds11

About (E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide

(E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide (PubChem CID 138726684) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is (E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide
PubChem CID138726684
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name(E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide
SMILESCC(C)/C=C/C(=O)NCCOCCOCC(=O)C(C)C
InChIInChI=1S/C15H27NO4/c1-12(2)5-6-15(18)16-7-8-19-9-10-20-11-14(17)13(3)4/h5-6,12-13H,7-11H2,1-4H3,(H,16,18)/b6-5+
InChIKeyYDKTWFPMJAJNIR-AATRIKPKSA-N
XLogP1.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide?
The IUPAC name of (E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide (CID 138726684) is (E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide.
What is the SMILES notation for (E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide?
The canonical SMILES for (E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide is CC(C)/C=C/C(=O)NCCOCCOCC(=O)C(C)C.
What is the InChIKey of (E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide?
The InChIKey is YDKTWFPMJAJNIR-AATRIKPKSA-N. The full InChI is InChI=1S/C15H27NO4/c1-12(2)5-6-15(18)16-7-8-19-9-10-20-11-14(17)13(3)4/h5-6,12-13H,7-11H2,1-4H3,(H,16,18)/b6-5+.
What are the key properties of (E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide?
(E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide has a molecular weight of 285.38 g/mol, XLogP of 1.57, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]pent-2-enamide is sourced from PubChem (CID 138726684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).