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

C14H15NO2 — CID 5305680

IUPACN-[2-(furan-2-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccco2)cc1
InChIInChI=1S/C14H15NO2/c1-11-4-6-12(7-5-11)14(16)15-9-8-13-3-2-10-17-13/h2-7,10H,8-9H2,1H3,(H,15,16)
InChIKeyFUYJSSAZQGOUHB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.56
Rot. Bonds4

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

N-[2-(furan-2-yl)ethyl]-4-methylbenzamide (PubChem CID 5305680) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-4-methylbenzamide
PubChem CID5305680
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-[2-(furan-2-yl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccco2)cc1
InChIInChI=1S/C14H15NO2/c1-11-4-6-12(7-5-11)14(16)15-9-8-13-3-2-10-17-13/h2-7,10H,8-9H2,1H3,(H,15,16)
InChIKeyFUYJSSAZQGOUHB-UHFFFAOYSA-N
XLogP2.56
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-4-methylbenzamide (CID 5305680) is N-[2-(furan-2-yl)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCc2ccco2)cc1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-4-methylbenzamide?
The InChIKey is FUYJSSAZQGOUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-11-4-6-12(7-5-11)14(16)15-9-8-13-3-2-10-17-13/h2-7,10H,8-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(furan-2-yl)ethyl]-4-methylbenzamide?
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide has a molecular weight of 229.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 5305680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).