N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide

C22H20N2O3 — CID 5115759

IUPACN-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
SMILESCc1ccc(C=CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H20N2O3/c1-16-8-10-17(11-9-16)12-13-21(25)24-20-7-3-2-6-19(20)22(26)23-15-18-5-4-14-27-18/h2-14H,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyYGSDRIPGCOITBF-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.17
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide

N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide (PubChem CID 5115759) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
PubChem CID5115759
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
SMILESCc1ccc(C=CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H20N2O3/c1-16-8-10-17(11-9-16)12-13-21(25)24-20-7-3-2-6-19(20)22(26)23-15-18-5-4-14-27-18/h2-14H,15H2,1H3,(H,23,26)(H,24,25)
InChIKeyYGSDRIPGCOITBF-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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

N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 17320578
N-(furan-2-ylmethyl)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
CID 6234508
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 51180458
2-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 24563043
N-(furan-2-ylmethyl)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]benzamide
CID 6211874
N-(furan-2-ylmethyl)-2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34651174
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1112090
N-benzyl-2-[3-(4-methylphenyl)prop-2-enoylcarbamothioylamino]benzamide
CID 4930656
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400409
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide (CID 5115759) is N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide is Cc1ccc(C=CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide?
The InChIKey is YGSDRIPGCOITBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16-8-10-17(11-9-16)12-13-21(25)24-20-7-3-2-6-19(20)22(26)23-15-18-5-4-14-27-18/h2-14H,15H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide?
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide has a molecular weight of 360.41 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide is sourced from PubChem (CID 5115759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).