methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate

C12H11N3O6 — CID 24829330

IUPACmethyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate
SMILESCOC(=O)Nc1coc(C(=O)Nc2coc(C(N)=O)c2)c1
InChIInChI=1S/C12H11N3O6/c1-19-12(18)15-7-3-9(21-5-7)11(17)14-6-2-8(10(13)16)20-4-6/h2-5H,1H3,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyLUNJGRUKBOURFM-UHFFFAOYSA-N
MW293.24 g/mol
LogP1.40
Rot. Bonds4

About methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate

methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate (PubChem CID 24829330) has the molecular formula C12H11N3O6 and a molecular weight of 293.24 g/mol. Its IUPAC name is methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate
PubChem CID24829330
Molecular FormulaC12H11N3O6
Molecular Weight293.24 g/mol
Exact Mass293.06
IUPAC Namemethyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate
SMILESCOC(=O)Nc1coc(C(=O)Nc2coc(C(N)=O)c2)c1
InChIInChI=1S/C12H11N3O6/c1-19-12(18)15-7-3-9(21-5-7)11(17)14-6-2-8(10(13)16)20-4-6/h2-5H,1H3,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyLUNJGRUKBOURFM-UHFFFAOYSA-N
XLogP1.40
TPSA136.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate?
The IUPAC name of methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate (CID 24829330) is methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate.
What is the SMILES notation for methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate?
The canonical SMILES for methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate is COC(=O)Nc1coc(C(=O)Nc2coc(C(N)=O)c2)c1.
What is the InChIKey of methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate?
The InChIKey is LUNJGRUKBOURFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O6/c1-19-12(18)15-7-3-9(21-5-7)11(17)14-6-2-8(10(13)16)20-4-6/h2-5H,1H3,(H2,13,16)(H,14,17)(H,15,18).
What are the key properties of methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate?
methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate has a molecular weight of 293.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[(5-carbamoylfuran-3-yl)carbamoyl]furan-3-yl]carbamate is sourced from PubChem (CID 24829330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).