[4-(furan-2-carbonylamino)phenyl] propanoate

C14H13NO4 — CID 1250934

IUPAC[4-(furan-2-carbonylamino)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C14H13NO4/c1-2-13(16)19-11-7-5-10(6-8-11)15-14(17)12-4-3-9-18-12/h3-9H,2H2,1H3,(H,15,17)
InChIKeyMSPUYHYGERNXGU-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.85
Rot. Bonds4

About [4-(furan-2-carbonylamino)phenyl] propanoate

[4-(furan-2-carbonylamino)phenyl] propanoate (PubChem CID 1250934) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is [4-(furan-2-carbonylamino)phenyl] propanoate.

Molecular Properties

Compound Name[4-(furan-2-carbonylamino)phenyl] propanoate
PubChem CID1250934
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name[4-(furan-2-carbonylamino)phenyl] propanoate
SMILESCCC(=O)Oc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C14H13NO4/c1-2-13(16)19-11-7-5-10(6-8-11)15-14(17)12-4-3-9-18-12/h3-9H,2H2,1H3,(H,15,17)
InChIKeyMSPUYHYGERNXGU-UHFFFAOYSA-N
XLogP2.85
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonylamino)phenyl] propanoate?
The IUPAC name of [4-(furan-2-carbonylamino)phenyl] propanoate (CID 1250934) is [4-(furan-2-carbonylamino)phenyl] propanoate.
What is the SMILES notation for [4-(furan-2-carbonylamino)phenyl] propanoate?
The canonical SMILES for [4-(furan-2-carbonylamino)phenyl] propanoate is CCC(=O)Oc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of [4-(furan-2-carbonylamino)phenyl] propanoate?
The InChIKey is MSPUYHYGERNXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-2-13(16)19-11-7-5-10(6-8-11)15-14(17)12-4-3-9-18-12/h3-9H,2H2,1H3,(H,15,17).
What are the key properties of [4-(furan-2-carbonylamino)phenyl] propanoate?
[4-(furan-2-carbonylamino)phenyl] propanoate has a molecular weight of 259.26 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonylamino)phenyl] propanoate is sourced from PubChem (CID 1250934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).