N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide

C22H20N2O3 — CID 1313238

IUPACN-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C22H20N2O3/c1-2-16-7-3-4-11-20(16)24-22(26)17-8-5-9-18(15-17)23-21(25)13-12-19-10-6-14-27-19/h3-15H,2H2,1H3,(H,23,25)(H,24,26)/b13-12+
InChIKeyMFSGVFFNQZCRKC-OUKQBFOZSA-N
MW360.41 g/mol
LogP4.75
Rot. Bonds6

About N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide

N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide (PubChem CID 1313238) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide
PubChem CID1313238
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide
SMILESCCc1ccccc1NC(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1
InChIInChI=1S/C22H20N2O3/c1-2-16-7-3-4-11-20(16)24-22(26)17-8-5-9-18(15-17)23-21(25)13-12-19-10-6-14-27-19/h3-15H,2H2,1H3,(H,23,25)(H,24,26)/b13-12+
InChIKeyMFSGVFFNQZCRKC-OUKQBFOZSA-N
XLogP4.75
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.75
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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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide (CID 1313238) is N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide is CCc1ccccc1NC(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1.
What is the InChIKey of N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide?
The InChIKey is MFSGVFFNQZCRKC-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-2-16-7-3-4-11-20(16)24-22(26)17-8-5-9-18(15-17)23-21(25)13-12-19-10-6-14-27-19/h3-15H,2H2,1H3,(H,23,25)(H,24,26)/b13-12+.
What are the key properties of N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide?
N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide has a molecular weight of 360.41 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 1313238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).