2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide

C20H20N2O3 — CID 17014006

IUPAC2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide
SMILESCCOc1ccccc1C(=O)N(Cc1ccc(C)o1)c1ccccn1
InChIInChI=1S/C20H20N2O3/c1-3-24-18-9-5-4-8-17(18)20(23)22(19-10-6-7-13-21-19)14-16-12-11-15(2)25-16/h4-13H,3,14H2,1-2H3
InChIKeyHDBDIALBJUDVSW-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.23
Rot. Bonds6

About 2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide

2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide (PubChem CID 17014006) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide
PubChem CID17014006
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide
SMILESCCOc1ccccc1C(=O)N(Cc1ccc(C)o1)c1ccccn1
InChIInChI=1S/C20H20N2O3/c1-3-24-18-9-5-4-8-17(18)20(23)22(19-10-6-7-13-21-19)14-16-12-11-15(2)25-16/h4-13H,3,14H2,1-2H3
InChIKeyHDBDIALBJUDVSW-UHFFFAOYSA-N
XLogP4.23
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide
CID 17012064
N-[(2-chlorophenyl)methyl]-2-ethoxy-N-pyridin-2-ylbenzamide
CID 35576771
2-ethoxy-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084654
ethyl 3-[(2-aminobenzoyl)-pyridin-2-ylamino]propanoate
CID 141002217
2-ethoxy-N-ethyl-N-(4-fluorophenyl)benzamide
CID 60592425
3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 78768450
2-(dimethylamino)-N-[(5-methylfuran-2-yl)methyl]-N-(pyridin-2-ylmethyl)acetamide
CID 167784536
2-ethoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084459
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 31150788
N-(2-chlorophenyl)-2-ethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 35341413
3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61093438
2-[[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 35301607

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide (CID 17014006) is 2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide is CCOc1ccccc1C(=O)N(Cc1ccc(C)o1)c1ccccn1.
What is the InChIKey of 2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide?
The InChIKey is HDBDIALBJUDVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-24-18-9-5-4-8-17(18)20(23)22(19-10-6-7-13-21-19)14-16-12-11-15(2)25-16/h4-13H,3,14H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide?
2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide has a molecular weight of 336.39 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 17014006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).