methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate

C19H20N2O4 — CID 3239201

IUPACmethyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C19H20N2O4/c1-11-5-12(2)7-14(6-11)20-18(22)10-21-15-8-13(3)25-17(15)9-16(21)19(23)24-4/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyVWIJREHYUMVJOQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.58
Rot. Bonds4

About methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate

methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 3239201) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID3239201
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C19H20N2O4/c1-11-5-12(2)7-14(6-11)20-18(22)10-21-15-8-13(3)25-17(15)9-16(21)19(23)24-4/h5-9H,10H2,1-4H3,(H,20,22)
InChIKeyVWIJREHYUMVJOQ-UHFFFAOYSA-N
XLogP3.58
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 3239201) is methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is VWIJREHYUMVJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-11-5-12(2)7-14(6-11)20-18(22)10-21-15-8-13(3)25-17(15)9-16(21)19(23)24-4/h5-9H,10H2,1-4H3,(H,20,22).
What are the key properties of methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 3239201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).