3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide

C15H18N2O3 — CID 91939208

IUPAC3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC#CCN1CCOCC1
InChIInChI=1S/C15H18N2O3/c18-15(6-5-14-4-3-11-20-14)16-7-1-2-8-17-9-12-19-13-10-17/h3-6,11H,7-10,12-13H2,(H,16,18)
InChIKeyHMFURXOYQKIMJM-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.74
Rot. Bonds4

About 3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide

3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide (PubChem CID 91939208) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide
PubChem CID91939208
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC#CCN1CCOCC1
InChIInChI=1S/C15H18N2O3/c18-15(6-5-14-4-3-11-20-14)16-7-1-2-8-17-9-12-19-13-10-17/h3-6,11H,7-10,12-13H2,(H,16,18)
InChIKeyHMFURXOYQKIMJM-UHFFFAOYSA-N
XLogP0.74
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N-(morpholine-4-carbothioyl)prop-2-enamide
CID 2054544
(E)-3-(furan-2-yl)-N-[(1-morpholin-4-ylcyclobutyl)methyl]prop-2-enamide
CID 139028127
(E)-3-(furan-2-yl)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9148362
(Z)-3-(furan-2-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 97456575
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
CID 90549391
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
2-morpholin-4-ylethyl 3-(furan-2-yl)prop-2-enoate
CID 797064
(E)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(furan-2-yl)prop-2-enamide
CID 7721839
3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide
CID 72692640
(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
CID 90552022
(E)-3-(furan-2-yl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 51072840

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide (CID 91939208) is 3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide is O=C(C=Cc1ccco1)NCC#CCN1CCOCC1.
What is the InChIKey of 3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide?
The InChIKey is HMFURXOYQKIMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-15(6-5-14-4-3-11-20-14)16-7-1-2-8-17-9-12-19-13-10-17/h3-6,11H,7-10,12-13H2,(H,16,18).
What are the key properties of 3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide?
3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide has a molecular weight of 274.32 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(4-morpholin-4-ylbut-2-ynyl)prop-2-enamide is sourced from PubChem (CID 91939208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).