methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

C19H20N2O4 — CID 20883209

IUPACmethyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCN(C(=O)Cn1c(C(=O)OC)cc2occc21)c1cccc(C)c1
InChIInChI=1S/C19H20N2O4/c1-4-20(14-7-5-6-13(2)10-14)18(22)12-21-15-8-9-25-17(15)11-16(21)19(23)24-3/h5-11H,4,12H2,1-3H3
InChIKeyULCPGAZHVJMLTR-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.38
Rot. Bonds5

About methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate

methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 20883209) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID20883209
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCCN(C(=O)Cn1c(C(=O)OC)cc2occc21)c1cccc(C)c1
InChIInChI=1S/C19H20N2O4/c1-4-20(14-7-5-6-13(2)10-14)18(22)12-21-15-8-9-25-17(15)11-16(21)19(23)24-3/h5-11H,4,12H2,1-3H3
InChIKeyULCPGAZHVJMLTR-UHFFFAOYSA-N
XLogP3.38
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 20883209) is methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is CCN(C(=O)Cn1c(C(=O)OC)cc2occc21)c1cccc(C)c1.
What is the InChIKey of methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is ULCPGAZHVJMLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-4-20(14-7-5-6-13(2)10-14)18(22)12-21-15-8-9-25-17(15)11-16(21)19(23)24-3/h5-11H,4,12H2,1-3H3.
What are the key properties of methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).