5-[(N-ethylanilino)methyl]furan-3-carboxylic acid

C14H15NO3 — CID 62269400

IUPAC5-[(N-ethylanilino)methyl]furan-3-carboxylic acid
SMILESCCN(Cc1cc(C(=O)O)co1)c1ccccc1
InChIInChI=1S/C14H15NO3/c1-2-15(12-6-4-3-5-7-12)9-13-8-11(10-18-13)14(16)17/h3-8,10H,2,9H2,1H3,(H,16,17)
InChIKeyCZLQVJOBCYZIAV-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.00
Rot. Bonds5

About 5-[(N-ethylanilino)methyl]furan-3-carboxylic acid

5-[(N-ethylanilino)methyl]furan-3-carboxylic acid (PubChem CID 62269400) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-[(N-ethylanilino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(N-ethylanilino)methyl]furan-3-carboxylic acid
PubChem CID62269400
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name5-[(N-ethylanilino)methyl]furan-3-carboxylic acid
SMILESCCN(Cc1cc(C(=O)O)co1)c1ccccc1
InChIInChI=1S/C14H15NO3/c1-2-15(12-6-4-3-5-7-12)9-13-8-11(10-18-13)14(16)17/h3-8,10H,2,9H2,1H3,(H,16,17)
InChIKeyCZLQVJOBCYZIAV-UHFFFAOYSA-N
XLogP3.00
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(N-ethylanilino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(N-ethylanilino)methyl]furan-3-carboxylic acid (CID 62269400) is 5-[(N-ethylanilino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(N-ethylanilino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(N-ethylanilino)methyl]furan-3-carboxylic acid is CCN(Cc1cc(C(=O)O)co1)c1ccccc1.
What is the InChIKey of 5-[(N-ethylanilino)methyl]furan-3-carboxylic acid?
The InChIKey is CZLQVJOBCYZIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-15(12-6-4-3-5-7-12)9-13-8-11(10-18-13)14(16)17/h3-8,10H,2,9H2,1H3,(H,16,17).
What are the key properties of 5-[(N-ethylanilino)methyl]furan-3-carboxylic acid?
5-[(N-ethylanilino)methyl]furan-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(N-ethylanilino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 62269400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).