[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate

C19H22N2O5 — CID 652006

IUPAC[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCc1cc2c(cc(C(=O)OC(C(=O)NCc3ccco3)C(C)C)n2C)o1
InChIInChI=1S/C19H22N2O5/c1-11(2)17(18(22)20-10-13-6-5-7-24-13)26-19(23)15-9-16-14(21(15)4)8-12(3)25-16/h5-9,11,17H,10H2,1-4H3,(H,20,22)
InChIKeyGBCYXBYZCUUYRE-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.17
Rot. Bonds6

About [1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate

[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 652006) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID652006
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCc1cc2c(cc(C(=O)OC(C(=O)NCc3ccco3)C(C)C)n2C)o1
InChIInChI=1S/C19H22N2O5/c1-11(2)17(18(22)20-10-13-6-5-7-24-13)26-19(23)15-9-16-14(21(15)4)8-12(3)25-16/h5-9,11,17H,10H2,1-4H3,(H,20,22)
InChIKeyGBCYXBYZCUUYRE-UHFFFAOYSA-N
XLogP3.17
TPSA86.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate (CID 652006) is [1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate is Cc1cc2c(cc(C(=O)OC(C(=O)NCc3ccco3)C(C)C)n2C)o1.
What is the InChIKey of [1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is GBCYXBYZCUUYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-11(2)17(18(22)20-10-13-6-5-7-24-13)26-19(23)15-9-16-14(21(15)4)8-12(3)25-16/h5-9,11,17H,10H2,1-4H3,(H,20,22).
What are the key properties of [1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate?
[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl] 2,4-dimethylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 652006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).