N-(4-ethylphenyl)-3-methylfuran-2-carboxamide

C14H15NO2 — CID 18106134

IUPACN-(4-ethylphenyl)-3-methylfuran-2-carboxamide
SMILESCCc1ccc(NC(=O)c2occc2C)cc1
InChIInChI=1S/C14H15NO2/c1-3-11-4-6-12(7-5-11)15-14(16)13-10(2)8-9-17-13/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyDQPUYNBLCQHPQK-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.40
Rot. Bonds3

About N-(4-ethylphenyl)-3-methylfuran-2-carboxamide

N-(4-ethylphenyl)-3-methylfuran-2-carboxamide (PubChem CID 18106134) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-methylfuran-2-carboxamide
PubChem CID18106134
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-(4-ethylphenyl)-3-methylfuran-2-carboxamide
SMILESCCc1ccc(NC(=O)c2occc2C)cc1
InChIInChI=1S/C14H15NO2/c1-3-11-4-6-12(7-5-11)15-14(16)13-10(2)8-9-17-13/h4-9H,3H2,1-2H3,(H,15,16)
InChIKeyDQPUYNBLCQHPQK-UHFFFAOYSA-N
XLogP3.40
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-methylfuran-2-carboxamide (CID 18106134) is N-(4-ethylphenyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-methylfuran-2-carboxamide is CCc1ccc(NC(=O)c2occc2C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-methylfuran-2-carboxamide?
The InChIKey is DQPUYNBLCQHPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-11-4-6-12(7-5-11)15-14(16)13-10(2)8-9-17-13/h4-9H,3H2,1-2H3,(H,15,16).
What are the key properties of N-(4-ethylphenyl)-3-methylfuran-2-carboxamide?
N-(4-ethylphenyl)-3-methylfuran-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 18106134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).