4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide

C24H27NO5 — CID 71504926

IUPAC4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCCc2ccccc2)C(c2cc(OC)c(OC)c(OC)c2)OC1
InChIInChI=1S/C24H27NO5/c1-5-17-15-30-22(18-13-19(27-2)23(29-4)20(14-18)28-3)21(17)24(26)25-12-11-16-9-7-6-8-10-16/h5-10,13-14,22H,1,11-12,15H2,2-4H3,(H,25,26)
InChIKeyPTGQJJQPCHLINL-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.63
Rot. Bonds9

About 4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide

4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide (PubChem CID 71504926) has the molecular formula C24H27NO5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide.

Molecular Properties

Compound Name4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide
PubChem CID71504926
Molecular FormulaC24H27NO5
Molecular Weight409.48 g/mol
Exact Mass409.19
IUPAC Name4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCCc2ccccc2)C(c2cc(OC)c(OC)c(OC)c2)OC1
InChIInChI=1S/C24H27NO5/c1-5-17-15-30-22(18-13-19(27-2)23(29-4)20(14-18)28-3)21(17)24(26)25-12-11-16-9-7-6-8-10-16/h5-10,13-14,22H,1,11-12,15H2,2-4H3,(H,25,26)
InChIKeyPTGQJJQPCHLINL-UHFFFAOYSA-N
XLogP3.63
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide
CID 71504736
4-ethenyl-N-[2-(2-fluorophenyl)ethyl]-2-(4-methoxyphenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328776
2-(3,4-dimethoxyphenyl)-4-ethenyl-N-[(4-methylphenyl)methyl]-2,5-dihydrofuran-3-carboxamide
CID 57327688
N-(2-phenylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
CID 22431653
cis-ethyl (1S,2S)-1-(2-phenylethylcarbamoyl)-2-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxylate
CID 86302942
N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108985137
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109137440
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095667
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
3,4-dimethoxy-N-(3-phenylpropyl)-5-prop-2-enylbenzamide
CID 35806874

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide?
The IUPAC name of 4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide (CID 71504926) is 4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide.
What is the SMILES notation for 4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide?
The canonical SMILES for 4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide is C=CC1=C(C(=O)NCCc2ccccc2)C(c2cc(OC)c(OC)c(OC)c2)OC1.
What is the InChIKey of 4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide?
The InChIKey is PTGQJJQPCHLINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5/c1-5-17-15-30-22(18-13-19(27-2)23(29-4)20(14-18)28-3)21(17)24(26)25-12-11-16-9-7-6-8-10-16/h5-10,13-14,22H,1,11-12,15H2,2-4H3,(H,25,26).
What are the key properties of 4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide?
4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide has a molecular weight of 409.48 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide is sourced from PubChem (CID 71504926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).