3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide

C19H22N2O4 — CID 71961453

IUPAC3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESCC(C)(CO)NC(=O)Cc1ccc(NC(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C19H22N2O4/c1-19(2,13-22)21-18(24)12-14-5-7-15(8-6-14)20-17(23)10-9-16-4-3-11-25-16/h3-11,22H,12-13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeySUEXYUAFUGRHDR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.36
Rot. Bonds7

About 3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide

3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide (PubChem CID 71961453) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
PubChem CID71961453
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
SMILESCC(C)(CO)NC(=O)Cc1ccc(NC(=O)C=Cc2ccco2)cc1
InChIInChI=1S/C19H22N2O4/c1-19(2,13-22)21-18(24)12-14-5-7-15(8-6-14)20-17(23)10-9-16-4-3-11-25-16/h3-11,22H,12-13H2,1-2H3,(H,20,23)(H,21,24)
InChIKeySUEXYUAFUGRHDR-UHFFFAOYSA-N
XLogP2.36
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 37243408
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide
CID 71961262
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 60536532
(E)-3-(furan-2-yl)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]prop-2-enamide
CID 28677993
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087
(E)-N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 122325645
3-(furan-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 963854
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
N-(4-bromo-3-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 77069436

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide (CID 71961453) is 3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide is CC(C)(CO)NC(=O)Cc1ccc(NC(=O)C=Cc2ccco2)cc1.
What is the InChIKey of 3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
The InChIKey is SUEXYUAFUGRHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-19(2,13-22)21-18(24)12-14-5-7-15(8-6-14)20-17(23)10-9-16-4-3-11-25-16/h3-11,22H,12-13H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide?
3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 71961453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).