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

C22H21NO3 — CID 134029408

IUPAC(E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C22H21NO3/c1-2-25-19-12-7-6-9-17(19)14-15-21(24)23-22(20-13-8-16-26-20)18-10-4-3-5-11-18/h3-16,22H,2H2,1H3,(H,23,24)/b15-14+
InChIKeyWFOXXLLXWBMFJW-CCEZHUSRSA-N
MW347.41 g/mol
LogP4.60
Rot. Bonds7

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

(E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide (PubChem CID 134029408) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide
PubChem CID134029408
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C22H21NO3/c1-2-25-19-12-7-6-9-17(19)14-15-21(24)23-22(20-13-8-16-26-20)18-10-4-3-5-11-18/h3-16,22H,2H2,1H3,(H,23,24)/b15-14+
InChIKeyWFOXXLLXWBMFJW-CCEZHUSRSA-N
XLogP4.60
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.60
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-[(R)-furan-2-yl(phenyl)methyl]-3-phenylprop-2-enamide
CID 8928142
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928137
2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methoxypropanoic acid
CID 81084653
3-(2-ethoxyphenyl)-N-ethylprop-2-enamide
CID 76872072
(E)-N-[furan-2-yl(phenyl)methyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 134029277
8-ethoxy-N-[furan-2-yl(phenyl)methyl]-2H-chromene-3-carboxamide
CID 55759749
methyl 2-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]-3-methylpentanoate
CID 78771685
3-(2-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-2-yl)prop-2-enamide
CID 61247353
2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310
(E)-3-(2-ethoxyphenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide
CID 103851116
(E)-3-(2-ethoxyphenyl)-N-(2-ethylbutyl)prop-2-enamide
CID 115612707
N-benzhydryl-3-(furan-2-yl)prop-2-enamide
CID 880414

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide (CID 134029408) is (E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide is CCOc1ccccc1/C=C/C(=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of (E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide?
The InChIKey is WFOXXLLXWBMFJW-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H21NO3/c1-2-25-19-12-7-6-9-17(19)14-15-21(24)23-22(20-13-8-16-26-20)18-10-4-3-5-11-18/h3-16,22H,2H2,1H3,(H,23,24)/b15-14+.
What are the key properties of (E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide?
(E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide has a molecular weight of 347.41 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxyphenyl)-N-[furan-2-yl(phenyl)methyl]prop-2-enamide is sourced from PubChem (CID 134029408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).