N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide

C14H15NO3 — CID 43402437

IUPACN-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccco2)cc1O
InChIInChI=1S/C14H15NO3/c1-9-5-6-11(8-12(9)16)14(17)15-10(2)13-4-3-7-18-13/h3-8,10,16H,1-2H3,(H,15,17)
InChIKeyBDACMZINPHPYPJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.78
Rot. Bonds3

About N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide

N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide (PubChem CID 43402437) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
PubChem CID43402437
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)c2ccco2)cc1O
InChIInChI=1S/C14H15NO3/c1-9-5-6-11(8-12(9)16)14(17)15-10(2)13-4-3-7-18-13/h3-8,10,16H,1-2H3,(H,15,17)
InChIKeyBDACMZINPHPYPJ-UHFFFAOYSA-N
XLogP2.78
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673533
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940
N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62168505
N-[1-(2-chlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 60701286
3-fluoro-N-[(1R)-1-(furan-2-yl)ethyl]-4-methoxybenzamide
CID 9482281
3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9482206
4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481732
3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide
CID 18110352
2-[(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 16778253

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide (CID 43402437) is N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)NC(C)c2ccco2)cc1O.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is BDACMZINPHPYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-5-6-11(8-12(9)16)14(17)15-10(2)13-4-3-7-18-13/h3-8,10,16H,1-2H3,(H,15,17).
What are the key properties of N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide?
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 245.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 43402437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).