(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide

C14H22N2O4 — CID 166993001

IUPAC(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide
SMILESCC/C=C(\CC)C(=O)N(C(C)O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H22N2O4/c1-4-6-10(5-2)14(20)16(9(3)17)11-7-8-12(18)15-13(11)19/h6,9,11,17H,4-5,7-8H2,1-3H3,(H,15,18,19)/b10-6+
InChIKeyUCUYPRJEEUUYHB-UXBLZVDNSA-N
MW282.34 g/mol
LogP0.70
Rot. Bonds5

About (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide

(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide (PubChem CID 166993001) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide
PubChem CID166993001
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide
SMILESCC/C=C(\CC)C(=O)N(C(C)O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H22N2O4/c1-4-6-10(5-2)14(20)16(9(3)17)11-7-8-12(18)15-13(11)19/h6,9,11,17H,4-5,7-8H2,1-3H3,(H,15,18,19)/b10-6+
InChIKeyUCUYPRJEEUUYHB-UXBLZVDNSA-N
XLogP0.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide?
The IUPAC name of (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide (CID 166993001) is (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide.
What is the SMILES notation for (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide?
The canonical SMILES for (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide is CC/C=C(\CC)C(=O)N(C(C)O)C1CCC(=O)NC1=O.
What is the InChIKey of (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide?
The InChIKey is UCUYPRJEEUUYHB-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-6-10(5-2)14(20)16(9(3)17)11-7-8-12(18)15-13(11)19/h6,9,11,17H,4-5,7-8H2,1-3H3,(H,15,18,19)/b10-6+.
What are the key properties of (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide?
(E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,6-dioxopiperidin-3-yl)-2-ethyl-N-(1-hydroxyethyl)pent-2-enamide is sourced from PubChem (CID 166993001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).