(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide

C16H19N3O — CID 2447060

IUPAC(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCCC(C)(C)NC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C16H19N3O/c1-4-16(2,3)19-15(20)10-9-12-11-17-13-7-5-6-8-14(13)18-12/h5-11H,4H2,1-3H3,(H,19,20)/b10-9+
InChIKeyLNMFTPJGIDTHJF-MDZDMXLPSA-N
MW269.35 g/mol
LogP2.95
Rot. Bonds4

About (E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide

(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide (PubChem CID 2447060) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
PubChem CID2447060
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
SMILESCCC(C)(C)NC(=O)/C=C/c1cnc2ccccc2n1
InChIInChI=1S/C16H19N3O/c1-4-16(2,3)19-15(20)10-9-12-11-17-13-7-5-6-8-14(13)18-12/h5-11H,4H2,1-3H3,(H,19,20)/b10-9+
InChIKeyLNMFTPJGIDTHJF-MDZDMXLPSA-N
XLogP2.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(E)-N-(1-hydroxypropan-2-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78857543
N-prop-2-enyl-3-quinoxalin-2-ylprop-2-enamide
CID 4883206
(E)-N-(2-ethoxyphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 17444738
(E)-N-(4-methylpentyl)-3-quinoxalin-2-ylprop-2-enamide
CID 33075877
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 71985060
N-(2-propan-2-ylpyrazol-3-yl)-3-quinoxalin-2-ylprop-2-enamide
CID 78772196
(E)-N-(2-methyl-1-phenylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 78813722
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-quinoxalin-2-ylprop-2-enamide
CID 103598498
(E)-N-[3-(pyridin-2-ylamino)propyl]-3-quinoxalin-2-ylprop-2-enamide
CID 75533565
methyl 6-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]amino]hexanoate
CID 31541090
(E)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]-3-quinoxalin-2-ylprop-2-enamide
CID 33165528

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide (CID 2447060) is (E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide is CCC(C)(C)NC(=O)/C=C/c1cnc2ccccc2n1.
What is the InChIKey of (E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide?
The InChIKey is LNMFTPJGIDTHJF-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-16(2,3)19-15(20)10-9-12-11-17-13-7-5-6-8-14(13)18-12/h5-11H,4H2,1-3H3,(H,19,20)/b10-9+.
What are the key properties of (E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide?
(E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide has a molecular weight of 269.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylbutan-2-yl)-3-quinoxalin-2-ylprop-2-enamide is sourced from PubChem (CID 2447060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).