ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate

C23H24N2O5 — CID 24568142

IUPACethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1
InChIInChI=1S/C23H24N2O5/c1-2-28-23(27)12-9-18-7-10-19(11-8-18)24-22(26)17-25(15-20-5-3-13-29-20)16-21-6-4-14-30-21/h3-14H,2,15-17H2,1H3,(H,24,26)/b12-9+
InChIKeyWJISHKGQJQRTRM-FMIVXFBMSA-N
MW408.45 g/mol
LogP4.09
Rot. Bonds10

About ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate

ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate (PubChem CID 24568142) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate
PubChem CID24568142
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Nameethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1
InChIInChI=1S/C23H24N2O5/c1-2-28-23(27)12-9-18-7-10-19(11-8-18)24-22(26)17-25(15-20-5-3-13-29-20)16-21-6-4-14-30-21/h3-14H,2,15-17H2,1H3,(H,24,26)/b12-9+
InChIKeyWJISHKGQJQRTRM-FMIVXFBMSA-N
XLogP4.09
TPSA84.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[4-[[2-[furan-2-ylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]phenyl]prop-2-enoate
CID 30798209
ethyl (E)-3-[4-[[2-[ethyl(2-methylprop-2-enyl)amino]acetyl]amino]phenyl]prop-2-enoate
CID 86913392
ethyl (E)-3-[4-[[2-[methyl(pentan-2-yl)amino]acetyl]amino]phenyl]prop-2-enoate
CID 46444897
ethyl (E)-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]prop-2-enoate
CID 27902551
ethyl (E)-3-[4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]prop-2-enoate
CID 17405378
2-[bis(furan-2-ylmethyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 27118860
ethyl (E)-3-[4-[[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]amino]phenyl]prop-2-enoate
CID 18127350
ethyl (E)-3-[4-[[2-[methyl(oxan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate
CID 86825123
ethyl (E)-3-[4-[[2-[cyclopentyl(propan-2-yl)amino]acetyl]amino]phenyl]prop-2-enoate
CID 56570012
ethyl (E)-3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 66931798
ethyl 3-[4-[(2-amino-2-methylpropanoyl)amino]phenyl]prop-2-enoate
CID 58866370
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate (CID 24568142) is ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(NC(=O)CN(Cc2ccco2)Cc2ccco2)cc1.
What is the InChIKey of ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate?
The InChIKey is WJISHKGQJQRTRM-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-2-28-23(27)12-9-18-7-10-19(11-8-18)24-22(26)17-25(15-20-5-3-13-29-20)16-21-6-4-14-30-21/h3-14H,2,15-17H2,1H3,(H,24,26)/b12-9+.
What are the key properties of ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate?
ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate has a molecular weight of 408.45 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[[2-[bis(furan-2-ylmethyl)amino]acetyl]amino]phenyl]prop-2-enoate is sourced from PubChem (CID 24568142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).