[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

C17H20N2O5 — CID 9464695

IUPAC[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCCn1c(C)cc(C(=O)COC(=O)CNC(=O)c2ccco2)c1C
InChIInChI=1S/C17H20N2O5/c1-4-19-11(2)8-13(12(19)3)14(20)10-24-16(21)9-18-17(22)15-6-5-7-23-15/h5-8H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyHSFOYMRKVLXOTJ-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.87
Rot. Bonds7

About [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 9464695) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID9464695
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCCn1c(C)cc(C(=O)COC(=O)CNC(=O)c2ccco2)c1C
InChIInChI=1S/C17H20N2O5/c1-4-19-11(2)8-13(12(19)3)14(20)10-24-16(21)9-18-17(22)15-6-5-7-23-15/h5-8H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyHSFOYMRKVLXOTJ-UHFFFAOYSA-N
XLogP1.87
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (CID 9464695) is [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is CCn1c(C)cc(C(=O)COC(=O)CNC(=O)c2ccco2)c1C.
What is the InChIKey of [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is HSFOYMRKVLXOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-4-19-11(2)8-13(12(19)3)14(20)10-24-16(21)9-18-17(22)15-6-5-7-23-15/h5-8H,4,9-10H2,1-3H3,(H,18,22).
What are the key properties of [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 332.36 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 9464695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).