4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide

C15H17NO3 — CID 103951699

IUPAC4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(O)c(C)c2)o1
InChIInChI=1S/C15H17NO3/c1-9-8-12(5-6-13(9)17)15(18)16-11(3)14-7-4-10(2)19-14/h4-8,11,17H,1-3H3,(H,16,18)
InChIKeyNABYRKHVFLMKQU-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.09
Rot. Bonds3

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

4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (PubChem CID 103951699) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
PubChem CID103951699
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(O)c(C)c2)o1
InChIInChI=1S/C15H17NO3/c1-9-8-12(5-6-13(9)17)15(18)16-11(3)14-7-4-10(2)19-14/h4-8,11,17H,1-3H3,(H,16,18)
InChIKeyNABYRKHVFLMKQU-UHFFFAOYSA-N
XLogP3.09
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 51232444
3,4-dimethoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46494747
3,5-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46443441
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392
N-[1-(5-methylfuran-2-yl)ethyl]-1H-indole-6-carboxamide
CID 47190593
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-[(S)-methylsulfinyl]benzamide
CID 94679161
3,4-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-5-(methylsulfamoyl)benzamide
CID 31001991
3,5-difluoro-4-(methylamino)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 63185216
4-(3,5-dimethylpyrazol-1-yl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 75401880
6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 63977964
4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
CID 51922993
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 95153025

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide (CID 103951699) is 4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccc(O)c(C)c2)o1.
What is the InChIKey of 4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
The InChIKey is NABYRKHVFLMKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-9-8-12(5-6-13(9)17)15(18)16-11(3)14-7-4-10(2)19-14/h4-8,11,17H,1-3H3,(H,16,18).
What are the key properties of 4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide?
4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]benzamide is sourced from PubChem (CID 103951699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).