(3-ethylphenyl) 2-(furan-2-carbonylamino)acetate

C15H15NO4 — CID 110670866

IUPAC(3-ethylphenyl) 2-(furan-2-carbonylamino)acetate
SMILESCCc1cccc(OC(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C15H15NO4/c1-2-11-5-3-6-12(9-11)20-14(17)10-16-15(18)13-7-4-8-19-13/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyAXWPDJSJQCGFSD-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.18
Rot. Bonds5

About (3-ethylphenyl) 2-(furan-2-carbonylamino)acetate

(3-ethylphenyl) 2-(furan-2-carbonylamino)acetate (PubChem CID 110670866) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3-ethylphenyl) 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name(3-ethylphenyl) 2-(furan-2-carbonylamino)acetate
PubChem CID110670866
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(3-ethylphenyl) 2-(furan-2-carbonylamino)acetate
SMILESCCc1cccc(OC(=O)CNC(=O)c2ccco2)c1
InChIInChI=1S/C15H15NO4/c1-2-11-5-3-6-12(9-11)20-14(17)10-16-15(18)13-7-4-8-19-13/h3-9H,2,10H2,1H3,(H,16,18)
InChIKeyAXWPDJSJQCGFSD-UHFFFAOYSA-N
XLogP2.18
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-ethylphenyl) 2-(furan-2-carbonylamino)acetate with MolForge

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

Launch Full Analysis

Related Compounds

(3-ethylphenyl) 2-(3,3-dimethylbutanoylamino)acetate
CID 110670885
(3-ethylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670877
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
N-[2-(3,4-diethylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 157121244
N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18159228
(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate
CID 46791464
(7-methoxynaphthalen-2-yl) 3-(furan-2-carbonylamino)propanoate
CID 43030744
N-[2-[(3-methoxyphenyl)methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 36505080
N-[2-[(4-ethylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 134052250
2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55316536
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880275
(3-ethylphenyl) 2-[(4-acetylphenyl)sulfonylamino]acetate
CID 110670911

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl) 2-(furan-2-carbonylamino)acetate?
The IUPAC name of (3-ethylphenyl) 2-(furan-2-carbonylamino)acetate (CID 110670866) is (3-ethylphenyl) 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for (3-ethylphenyl) 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for (3-ethylphenyl) 2-(furan-2-carbonylamino)acetate is CCc1cccc(OC(=O)CNC(=O)c2ccco2)c1.
What is the InChIKey of (3-ethylphenyl) 2-(furan-2-carbonylamino)acetate?
The InChIKey is AXWPDJSJQCGFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-2-11-5-3-6-12(9-11)20-14(17)10-16-15(18)13-7-4-8-19-13/h3-9H,2,10H2,1H3,(H,16,18).
What are the key properties of (3-ethylphenyl) 2-(furan-2-carbonylamino)acetate?
(3-ethylphenyl) 2-(furan-2-carbonylamino)acetate has a molecular weight of 273.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl) 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 110670866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).