2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C20H24N2O3 — CID 56818272

IUPAC2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOc1ccc(C2=CCN(C(=O)CN(C)Cc3ccoc3)CC2)cc1
InChIInChI=1S/C20H24N2O3/c1-21(13-16-9-12-25-15-16)14-20(23)22-10-7-18(8-11-22)17-3-5-19(24-2)6-4-17/h3-7,9,12,15H,8,10-11,13-14H2,1-2H3
InChIKeyWXEJNLDMUXCCEN-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.04
Rot. Bonds6

About 2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 56818272) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID56818272
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOc1ccc(C2=CCN(C(=O)CN(C)Cc3ccoc3)CC2)cc1
InChIInChI=1S/C20H24N2O3/c1-21(13-16-9-12-25-15-16)14-20(23)22-10-7-18(8-11-22)17-3-5-19(24-2)6-4-17/h3-7,9,12,15H,8,10-11,13-14H2,1-2H3
InChIKeyWXEJNLDMUXCCEN-UHFFFAOYSA-N
XLogP3.04
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 56818272) is 2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is COc1ccc(C2=CCN(C(=O)CN(C)Cc3ccoc3)CC2)cc1.
What is the InChIKey of 2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is WXEJNLDMUXCCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-21(13-16-9-12-25-15-16)14-20(23)22-10-7-18(8-11-22)17-3-5-19(24-2)6-4-17/h3-7,9,12,15H,8,10-11,13-14H2,1-2H3.
What are the key properties of 2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 340.42 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-3-ylmethyl(methyl)amino]-1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 56818272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).