3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one

C18H19NO3 — CID 2886556

IUPAC3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
SMILESCCOc1ccc(NC2=CC(=O)CC(c3ccco3)C2)cc1
InChIInChI=1S/C18H19NO3/c1-2-21-17-7-5-14(6-8-17)19-15-10-13(11-16(20)12-15)18-4-3-9-22-18/h3-9,12-13,19H,2,10-11H2,1H3
InChIKeyOIUZPGQBYTWZHJ-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.12
Rot. Bonds5

About 3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one

3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one (PubChem CID 2886556) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
PubChem CID2886556
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one
SMILESCCOc1ccc(NC2=CC(=O)CC(c3ccco3)C2)cc1
InChIInChI=1S/C18H19NO3/c1-2-21-17-7-5-14(6-8-17)19-15-10-13(11-16(20)12-15)18-4-3-9-22-18/h3-9,12-13,19H,2,10-11H2,1H3
InChIKeyOIUZPGQBYTWZHJ-UHFFFAOYSA-N
XLogP4.12
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one (CID 2886556) is 3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one is CCOc1ccc(NC2=CC(=O)CC(c3ccco3)C2)cc1.
What is the InChIKey of 3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
The InChIKey is OIUZPGQBYTWZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-21-17-7-5-14(6-8-17)19-15-10-13(11-16(20)12-15)18-4-3-9-22-18/h3-9,12-13,19H,2,10-11H2,1H3.
What are the key properties of 3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one?
3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one has a molecular weight of 297.35 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyanilino)-5-(furan-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 2886556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).