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

C20H27NO5 — CID 71504736

IUPAC4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCC(C)C)C(c2cc(OC)c(OC)c(OC)c2)OC1
InChIInChI=1S/C20H27NO5/c1-7-13-11-26-18(17(13)20(22)21-10-12(2)3)14-8-15(23-4)19(25-6)16(9-14)24-5/h7-9,12,18H,1,10-11H2,2-6H3,(H,21,22)
InChIKeyAZQVACJFDUWOMV-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.04
Rot. Bonds8

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

4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide (PubChem CID 71504736) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide.

Molecular Properties

Compound Name4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide
PubChem CID71504736
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Name4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCC(C)C)C(c2cc(OC)c(OC)c(OC)c2)OC1
InChIInChI=1S/C20H27NO5/c1-7-13-11-26-18(17(13)20(22)21-10-12(2)3)14-8-15(23-4)19(25-6)16(9-14)24-5/h7-9,12,18H,1,10-11H2,2-6H3,(H,21,22)
InChIKeyAZQVACJFDUWOMV-UHFFFAOYSA-N
XLogP3.04
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethenyl-N-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide
CID 71504926
2-(3,4-dimethoxyphenyl)-4-ethenyl-N-[(4-methylphenyl)methyl]-2,5-dihydrofuran-3-carboxamide
CID 57327688
3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 18106056
(3R,4S)-1-(3-methylbutanoyl)-N-(2-methylpropyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149810
3-ethenyl-4-methoxy-N-(2-methylpropyl)benzamide
CID 176508222
5-[[cyclopentyl-(3,4,5-trimethoxybenzoyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23907301
(E)-N-(2-methylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 7762009
N-(3-amino-2-hydroxy-3-oxopropyl)-3,4,5-trimethoxybenzamide
CID 107261003
(3S,4S)-N-(2-methylpropyl)-1-(propan-2-ylcarbamothioyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93150369
(3R,4S)-1-(cyclopentanecarbonyl)-N-(2-methylpropyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93149829
N-(2-methylpropyl)-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109151937
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide?
The IUPAC name of 4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide (CID 71504736) is 4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide.
What is the SMILES notation for 4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide?
The canonical SMILES for 4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide is C=CC1=C(C(=O)NCC(C)C)C(c2cc(OC)c(OC)c(OC)c2)OC1.
What is the InChIKey of 4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide?
The InChIKey is AZQVACJFDUWOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5/c1-7-13-11-26-18(17(13)20(22)21-10-12(2)3)14-8-15(23-4)19(25-6)16(9-14)24-5/h7-9,12,18H,1,10-11H2,2-6H3,(H,21,22).
What are the key properties of 4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide?
4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-(2-methylpropyl)-2-(3,4,5-trimethoxyphenyl)-2,5-dihydrofuran-3-carboxamide is sourced from PubChem (CID 71504736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).