N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide

C21H27NO4 — CID 57327690

IUPACN-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NC2CCCCC2)C(c2ccc(OC)c(OC)c2)OC1
InChIInChI=1S/C21H27NO4/c1-4-14-13-26-20(15-10-11-17(24-2)18(12-15)25-3)19(14)21(23)22-16-8-6-5-7-9-16/h4,10-12,16,20H,1,5-9,13H2,2-3H3,(H,22,23)
InChIKeyHXKLGRAWKIMNQD-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.71
Rot. Bonds6

About N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide

N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide (PubChem CID 57327690) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide
PubChem CID57327690
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NC2CCCCC2)C(c2ccc(OC)c(OC)c2)OC1
InChIInChI=1S/C21H27NO4/c1-4-14-13-26-20(15-10-11-17(24-2)18(12-15)25-3)19(14)21(23)22-16-8-6-5-7-9-16/h4,10-12,16,20H,1,5-9,13H2,2-3H3,(H,22,23)
InChIKeyHXKLGRAWKIMNQD-UHFFFAOYSA-N
XLogP3.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide (CID 57327690) is N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide is C=CC1=C(C(=O)NC2CCCCC2)C(c2ccc(OC)c(OC)c2)OC1.
What is the InChIKey of N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide?
The InChIKey is HXKLGRAWKIMNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-14-13-26-20(15-10-11-17(24-2)18(12-15)25-3)19(14)21(23)22-16-8-6-5-7-9-16/h4,10-12,16,20H,1,5-9,13H2,2-3H3,(H,22,23).
What are the key properties of N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide?
N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide is sourced from PubChem (CID 57327690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).