ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate

C17H19NO5 — CID 3995045

IUPACethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccco1)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5/c1-3-22-16(19)11-14(12-6-8-13(21-2)9-7-12)18-17(20)15-5-4-10-23-15/h4-10,14H,3,11H2,1-2H3,(H,18,20)
InChIKeyDURHPBLCMSOGFV-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.71
Rot. Bonds7

About ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate

ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate (PubChem CID 3995045) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate
PubChem CID3995045
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Nameethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccco1)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5/c1-3-22-16(19)11-14(12-6-8-13(21-2)9-7-12)18-17(20)15-5-4-10-23-15/h4-10,14H,3,11H2,1-2H3,(H,18,20)
InChIKeyDURHPBLCMSOGFV-UHFFFAOYSA-N
XLogP2.71
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate 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 ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate (CID 3995045) is ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate is CCOC(=O)CC(NC(=O)c1ccco1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate?
The InChIKey is DURHPBLCMSOGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-3-22-16(19)11-14(12-6-8-13(21-2)9-7-12)18-17(20)15-5-4-10-23-15/h4-10,14H,3,11H2,1-2H3,(H,18,20).
What are the key properties of ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate?
ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate has a molecular weight of 317.34 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-2-carbonylamino)-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 3995045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).