(E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide

C22H21NO2 — CID 43886752

IUPAC(E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide
SMILESCc1ccc(C(C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c1-16-10-12-18(13-11-16)17(2)23-22(24)21(15-20-9-6-14-25-20)19-7-4-3-5-8-19/h3-15,17H,1-2H3,(H,23,24)/b21-15+
InChIKeyCVSHGMDMFFXQKN-RCCKNPSSSA-N
MW331.42 g/mol
LogP5.01
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide

(E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide (PubChem CID 43886752) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide
PubChem CID43886752
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide
SMILESCc1ccc(C(C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c1-16-10-12-18(13-11-16)17(2)23-22(24)21(15-20-9-6-14-25-20)19-7-4-3-5-8-19/h3-15,17H,1-2H3,(H,23,24)/b21-15+
InChIKeyCVSHGMDMFFXQKN-RCCKNPSSSA-N
XLogP5.01
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(furan-2-yl)-3-[1-(4-methylphenyl)ethylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 133210525
(E)-3-(furan-2-yl)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenylprop-2-enamide
CID 92684194
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 40543296
N-[(Z)-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 100586118
(E)-3-(furan-2-yl)-N-(3-methylbutyl)-2-phenylprop-2-enamide
CID 6389358
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 133218765
3-(furan-2-yl)-2-phenylprop-2-enamide
CID 1281215
N-[(E)-1-(furan-2-yl)-3-oxo-3-[[(1S)-1-phenylethyl]amino]prop-1-en-2-yl]-4-methoxybenzamide
CID 7378501
N-[(Z)-1-(furan-2-yl)-3-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethylamino]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 133184589
ethyl (Z)-3-(furan-2-yl)-2-phenylprop-2-enoate
CID 170872169
2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide
CID 47121155
(2Z,4E)-2-cyano-5-(furan-2-yl)-N-(1-phenylethyl)penta-2,4-dienamide
CID 6154562

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide (CID 43886752) is (E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide is Cc1ccc(C(C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide?
The InChIKey is CVSHGMDMFFXQKN-RCCKNPSSSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16-10-12-18(13-11-16)17(2)23-22(24)21(15-20-9-6-14-25-20)19-7-4-3-5-8-19/h3-15,17H,1-2H3,(H,23,24)/b21-15+.
What are the key properties of (E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide?
(E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide has a molecular weight of 331.42 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[1-(4-methylphenyl)ethyl]-2-phenylprop-2-enamide is sourced from PubChem (CID 43886752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).