3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

C18H23NO4 — CID 78768450

IUPAC3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1OCC
InChIInChI=1S/C18H23NO4/c1-5-21-16-10-8-14(11-17(16)22-6-2)18(20)19(4)12-15-9-7-13(3)23-15/h7-11H,5-6,12H2,1-4H3
InChIKeyJYOWJVPAWPPCAV-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.66
Rot. Bonds7

About 3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide

3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (PubChem CID 78768450) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
PubChem CID78768450
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
SMILESCCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1OCC
InChIInChI=1S/C18H23NO4/c1-5-21-16-10-8-14(11-17(16)22-6-2)18(20)19(4)12-15-9-7-13(3)23-15/h7-11H,5-6,12H2,1-4H3
InChIKeyJYOWJVPAWPPCAV-UHFFFAOYSA-N
XLogP3.66
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 86906483
2-(4-ethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 31799385
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-pentoxybenzamide
CID 112790552
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 27774718
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 24792003
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
CID 56809035
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 31150788
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 27780589

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide (CID 78768450) is 3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is CCOc1ccc(C(=O)N(C)Cc2ccc(C)o2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
The InChIKey is JYOWJVPAWPPCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-5-21-16-10-8-14(11-17(16)22-6-2)18(20)19(4)12-15-9-7-13(3)23-15/h7-11H,5-6,12H2,1-4H3.
What are the key properties of 3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide?
3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide is sourced from PubChem (CID 78768450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).