(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide

C18H20N4O2 — CID 56817914

IUPAC(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide
SMILESNC(=O)CN(C(=O)/C=C/c1cnc2ccccc2n1)C1CCCC1
InChIInChI=1S/C18H20N4O2/c19-17(23)12-22(14-5-1-2-6-14)18(24)10-9-13-11-20-15-7-3-4-8-16(15)21-13/h3-4,7-11,14H,1-2,5-6,12H2,(H2,19,23)/b10-9+
InChIKeyGVHCDOUPVYSDOS-MDZDMXLPSA-N
MW324.38 g/mol
LogP1.90
Rot. Bonds5

About (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 56817914) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide
PubChem CID56817914
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide
SMILESNC(=O)CN(C(=O)/C=C/c1cnc2ccccc2n1)C1CCCC1
InChIInChI=1S/C18H20N4O2/c19-17(23)12-22(14-5-1-2-6-14)18(24)10-9-13-11-20-15-7-3-4-8-16(15)21-13/h3-4,7-11,14H,1-2,5-6,12H2,(H2,19,23)/b10-9+
InChIKeyGVHCDOUPVYSDOS-MDZDMXLPSA-N
XLogP1.90
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide (CID 56817914) is (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide is NC(=O)CN(C(=O)/C=C/c1cnc2ccccc2n1)C1CCCC1.
What is the InChIKey of (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is GVHCDOUPVYSDOS-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-17(23)12-22(14-5-1-2-6-14)18(24)10-9-13-11-20-15-7-3-4-8-16(15)21-13/h3-4,7-11,14H,1-2,5-6,12H2,(H2,19,23)/b10-9+.
What are the key properties of (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 324.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 56817914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).