[3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C26H27NO6 — CID 43040172

IUPAC[3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)c3occc3COc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C26H27NO6/c1-29-21-15-22(30-2)24(23(16-21)31-3)18-9-12-27(13-10-18)26(28)25-19(11-14-32-25)17-33-20-7-5-4-6-8-20/h4-9,11,14-16H,10,12-13,17H2,1-3H3
InChIKeyLVEPOEOCYYODGO-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.81
Rot. Bonds8

About [3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 43040172) has the molecular formula C26H27NO6 and a molecular weight of 449.50 g/mol. Its IUPAC name is [3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID43040172
Molecular FormulaC26H27NO6
Molecular Weight449.50 g/mol
Exact Mass449.18
IUPAC Name[3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOc1cc(OC)c(C2=CCN(C(=O)c3occc3COc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C26H27NO6/c1-29-21-15-22(30-2)24(23(16-21)31-3)18-9-12-27(13-10-18)26(28)25-19(11-14-32-25)17-33-20-7-5-4-6-8-20/h4-9,11,14-16H,10,12-13,17H2,1-3H3
InChIKeyLVEPOEOCYYODGO-UHFFFAOYSA-N
XLogP4.81
TPSA70.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 43040172) is [3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COc1cc(OC)c(C2=CCN(C(=O)c3occc3COc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of [3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is LVEPOEOCYYODGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO6/c1-29-21-15-22(30-2)24(23(16-21)31-3)18-9-12-27(13-10-18)26(28)25-19(11-14-32-25)17-33-20-7-5-4-6-8-20/h4-9,11,14-16H,10,12-13,17H2,1-3H3.
What are the key properties of [3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 449.50 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(phenoxymethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 43040172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).