(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide

C16H16N2O3 — CID 2298592

IUPAC(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
SMILESCCC(=O)Nc1ccc(NC(=O)/C=C\c2ccco2)cc1
InChIInChI=1S/C16H16N2O3/c1-2-15(19)17-12-5-7-13(8-6-12)18-16(20)10-9-14-4-3-11-21-14/h3-11H,2H2,1H3,(H,17,19)(H,18,20)/b10-9-
InChIKeyIMESKJQNZVAWPB-KTKRTIGZSA-N
MW284.31 g/mol
LogP3.28
Rot. Bonds5

About (Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide

(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide (PubChem CID 2298592) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
PubChem CID2298592
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
SMILESCCC(=O)Nc1ccc(NC(=O)/C=C\c2ccco2)cc1
InChIInChI=1S/C16H16N2O3/c1-2-15(19)17-12-5-7-13(8-6-12)18-16(20)10-9-14-4-3-11-21-14/h3-11H,2H2,1H3,(H,17,19)(H,18,20)/b10-9-
InChIKeyIMESKJQNZVAWPB-KTKRTIGZSA-N
XLogP3.28
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 37243408
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 71961453
(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 51566581
N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide
CID 55802124
(E)-N-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 60536532
(E)-N-(3,4-dipropoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 6214482
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 3718285
4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 92958877
3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide
CID 71961262
3-(furan-2-yl)-N-[[4-[4-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]phenyl]phenyl]carbamothioyl]prop-2-enamide
CID 3789012

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide (CID 2298592) is (Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide is CCC(=O)Nc1ccc(NC(=O)/C=C\c2ccco2)cc1.
What is the InChIKey of (Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
The InChIKey is IMESKJQNZVAWPB-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-15(19)17-12-5-7-13(8-6-12)18-16(20)10-9-14-4-3-11-21-14/h3-11H,2H2,1H3,(H,17,19)(H,18,20)/b10-9-.
What are the key properties of (Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide has a molecular weight of 284.31 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 2298592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).