dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate

C16H17NO5 — CID 86045617

IUPACdimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate
SMILESCCNc1c(-c2ccccc2)oc(C(=O)OC)c1C(=O)OC
InChIInChI=1S/C16H17NO5/c1-4-17-12-11(15(18)20-2)14(16(19)21-3)22-13(12)10-8-6-5-7-9-10/h5-9,17H,4H2,1-3H3
InChIKeyOUAOIPNWQQAQJT-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.95
Rot. Bonds5

About dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate

dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate (PubChem CID 86045617) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate
PubChem CID86045617
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namedimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate
SMILESCCNc1c(-c2ccccc2)oc(C(=O)OC)c1C(=O)OC
InChIInChI=1S/C16H17NO5/c1-4-17-12-11(15(18)20-2)14(16(19)21-3)22-13(12)10-8-6-5-7-9-10/h5-9,17H,4H2,1-3H3
InChIKeyOUAOIPNWQQAQJT-UHFFFAOYSA-N
XLogP2.95
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate (CID 86045617) is dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate is CCNc1c(-c2ccccc2)oc(C(=O)OC)c1C(=O)OC.
What is the InChIKey of dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate?
The InChIKey is OUAOIPNWQQAQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-4-17-12-11(15(18)20-2)14(16(19)21-3)22-13(12)10-8-6-5-7-9-10/h5-9,17H,4H2,1-3H3.
What are the key properties of dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate?
dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate has a molecular weight of 303.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(ethylamino)-5-phenylfuran-2,3-dicarboxylate is sourced from PubChem (CID 86045617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).