(2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate

C15H13NO4 — CID 2352756

IUPAC(2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)Nc1ccccc1
InChIInChI=1S/C15H13NO4/c17-14(16-12-5-2-1-3-6-12)11-20-15(18)9-8-13-7-4-10-19-13/h1-10H,11H2,(H,16,17)/b9-8+
InChIKeyRKNZOMVRBXZBRY-CMDGGOBGSA-N
MW271.27 g/mol
LogP2.47
Rot. Bonds5

About (2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate

(2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 2352756) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID2352756
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccco1)Nc1ccccc1
InChIInChI=1S/C15H13NO4/c17-14(16-12-5-2-1-3-6-12)11-20-15(18)9-8-13-7-4-10-19-13/h1-10H,11H2,(H,16,17)/b9-8+
InChIKeyRKNZOMVRBXZBRY-CMDGGOBGSA-N
XLogP2.47
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of (2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate (CID 2352756) is (2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for (2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate is O=C(COC(=O)/C=C/c1ccco1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is RKNZOMVRBXZBRY-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H13NO4/c17-14(16-12-5-2-1-3-6-12)11-20-15(18)9-8-13-7-4-10-19-13/h1-10H,11H2,(H,16,17)/b9-8+.
What are the key properties of (2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate?
(2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 271.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 2352756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).