[2-(propanoylamino)phenyl] furan-2-carboxylate

C14H13NO4 — CID 23010896

IUPAC[2-(propanoylamino)phenyl] furan-2-carboxylate
SMILESCCC(=O)Nc1ccccc1OC(=O)c1ccco1
InChIInChI=1S/C14H13NO4/c1-2-13(16)15-10-6-3-4-7-11(10)19-14(17)12-8-5-9-18-12/h3-9H,2H2,1H3,(H,15,16)
InChIKeyLBLALJWULYXCGP-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.85
Rot. Bonds4

About [2-(propanoylamino)phenyl] furan-2-carboxylate

[2-(propanoylamino)phenyl] furan-2-carboxylate (PubChem CID 23010896) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is [2-(propanoylamino)phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(propanoylamino)phenyl] furan-2-carboxylate
PubChem CID23010896
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name[2-(propanoylamino)phenyl] furan-2-carboxylate
SMILESCCC(=O)Nc1ccccc1OC(=O)c1ccco1
InChIInChI=1S/C14H13NO4/c1-2-13(16)15-10-6-3-4-7-11(10)19-14(17)12-8-5-9-18-12/h3-9H,2H2,1H3,(H,15,16)
InChIKeyLBLALJWULYXCGP-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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Related Compounds

[2-(propanoylamino)phenyl] 4-phenylbenzoate
CID 4954825
[2-(propanoylamino)phenyl] 4-tert-butylbenzoate
CID 4954848
[2-(propanoylamino)phenyl] 3-iodo-4-methylbenzoate
CID 4954849
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] furan-2-carboxylate
CID 55318659
N-(2-butoxyphenyl)propanamide
CID 15943029
[2-(propanoylamino)phenyl] methanesulfonate
CID 117063581
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880201
N-[(2-ethoxyphenyl)carbamothioyl]furan-2-carboxamide
CID 1226907
N-[(2S)-1-(2-ethoxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7611492
[2-(2-methylpropoxycarbonyloxy)phenyl] furan-2-carboxylate
CID 91700704
N-(2-acetamidophenyl)propanamide
CID 885895

Frequently Asked Questions

What is the IUPAC name of [2-(propanoylamino)phenyl] furan-2-carboxylate?
The IUPAC name of [2-(propanoylamino)phenyl] furan-2-carboxylate (CID 23010896) is [2-(propanoylamino)phenyl] furan-2-carboxylate.
What is the SMILES notation for [2-(propanoylamino)phenyl] furan-2-carboxylate?
The canonical SMILES for [2-(propanoylamino)phenyl] furan-2-carboxylate is CCC(=O)Nc1ccccc1OC(=O)c1ccco1.
What is the InChIKey of [2-(propanoylamino)phenyl] furan-2-carboxylate?
The InChIKey is LBLALJWULYXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-2-13(16)15-10-6-3-4-7-11(10)19-14(17)12-8-5-9-18-12/h3-9H,2H2,1H3,(H,15,16).
What are the key properties of [2-(propanoylamino)phenyl] furan-2-carboxylate?
[2-(propanoylamino)phenyl] furan-2-carboxylate 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 [2-(propanoylamino)phenyl] furan-2-carboxylate is sourced from PubChem (CID 23010896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).