(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide

C16H18N2O2 — CID 37243408

IUPAC(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCN(C)Cc1ccc(NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C16H18N2O2/c1-18(2)12-13-5-7-14(8-6-13)17-16(19)10-9-15-4-3-11-20-15/h3-11H,12H2,1-2H3,(H,17,19)/b10-9+
InChIKeyLAXVUUIBLLNGDG-MDZDMXLPSA-N
MW270.33 g/mol
LogP2.99
Rot. Bonds5

About (E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 37243408) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID37243408
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESCN(C)Cc1ccc(NC(=O)/C=C/c2ccco2)cc1
InChIInChI=1S/C16H18N2O2/c1-18(2)12-13-5-7-14(8-6-13)17-16(19)10-9-15-4-3-11-20-15/h3-11H,12H2,1-2H3,(H,17,19)/b10-9+
InChIKeyLAXVUUIBLLNGDG-MDZDMXLPSA-N
XLogP2.99
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.99
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-[4-[benzyl(methyl)amino]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 60536532
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
3-(furan-2-yl)-N-[4-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 71961453
methyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoate
CID 963838
tert-butyl N-[[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]phenyl]methyl]-N-methylcarbamate
CID 94161008
N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 3718285
3-(furan-2-yl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]prop-2-enamide
CID 71961262
(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 51566581
N-[(4-butylphenyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 2904238
3-(furan-2-yl)-N-[[4-[4-[3-(furan-2-yl)prop-2-enoylcarbamothioylamino]phenyl]phenyl]carbamothioyl]prop-2-enamide
CID 3789012
(Z)-3-(furan-2-yl)-N-[[4-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]phenyl]carbamothioyl]prop-2-enamide
CID 25250780

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide (CID 37243408) is (E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide is CN(C)Cc1ccc(NC(=O)/C=C/c2ccco2)cc1.
What is the InChIKey of (E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is LAXVUUIBLLNGDG-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(2)12-13-5-7-14(8-6-13)17-16(19)10-9-15-4-3-11-20-15/h3-11H,12H2,1-2H3,(H,17,19)/b10-9+.
What are the key properties of (E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(dimethylamino)methyl]phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 37243408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).