3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

C16H19NO4 — CID 46494747

IUPAC3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(C)o2)cc1OC
InChIInChI=1S/C16H19NO4/c1-10-5-7-13(21-10)11(2)17-16(18)12-6-8-14(19-3)15(9-12)20-4/h5-9,11H,1-4H3,(H,17,18)
InChIKeyKQQLYLFSNRWARW-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.10
Rot. Bonds5

About 3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (PubChem CID 46494747) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
PubChem CID46494747
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(C)o2)cc1OC
InChIInChI=1S/C16H19NO4/c1-10-5-7-13(21-10)11(2)17-16(18)12-6-8-14(19-3)15(9-12)20-4/h5-9,11H,1-4H3,(H,17,18)
InChIKeyKQQLYLFSNRWARW-UHFFFAOYSA-N
XLogP3.10
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103951699
3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51232444
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
2-(2-methoxyphenoxy)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 31001904
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
2,3-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51187767
6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 63977964

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (CID 46494747) is 3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is COc1ccc(C(=O)NC(C)c2ccc(C)o2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The InChIKey is KQQLYLFSNRWARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-5-7-13(21-10)11(2)17-16(18)12-6-8-14(19-3)15(9-12)20-4/h5-9,11H,1-4H3,(H,17,18).
What are the key properties of 3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide has a molecular weight of 289.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 46494747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).