N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide

C16H19NO3 — CID 82829104

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
SMILESCc1cc(C(C)NC(=O)c2cccc(O)c2C)c(C)o1
InChIInChI=1S/C16H19NO3/c1-9-8-14(12(4)20-9)11(3)17-16(19)13-6-5-7-15(18)10(13)2/h5-8,11,18H,1-4H3,(H,17,19)
InChIKeyDVWREAYGKUCOHG-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.40
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide (PubChem CID 82829104) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
PubChem CID82829104
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
SMILESCc1cc(C(C)NC(=O)c2cccc(O)c2C)c(C)o1
InChIInChI=1S/C16H19NO3/c1-9-8-14(12(4)20-9)11(3)17-16(19)13-6-5-7-15(18)10(13)2/h5-8,11,18H,1-4H3,(H,17,19)
InChIKeyDVWREAYGKUCOHG-UHFFFAOYSA-N
XLogP3.40
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide
CID 47442999
2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 115540569
3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 103989173
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide
CID 94799638
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113
2-(cyclopentylamino)-N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-3-carboxamide
CID 95630402
2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide
CID 47443000
3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
CID 82786626
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]furan-2-carboxamide
CID 47442995
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43297842
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-hydrazinylbenzamide
CID 62248634
N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 95179199

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide (CID 82829104) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide is Cc1cc(C(C)NC(=O)c2cccc(O)c2C)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is DVWREAYGKUCOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-8-14(12(4)20-9)11(3)17-16(19)13-6-5-7-15(18)10(13)2/h5-8,11,18H,1-4H3,(H,17,19).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 273.33 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82829104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).