2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione

C20H17NO4 — CID 51356642

IUPAC2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione
SMILESCC(C)(C)Nc1oc2c(c1-c1ccoc1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H17NO4/c1-20(2,3)21-19-14(11-8-9-24-10-11)15-16(22)12-6-4-5-7-13(12)17(23)18(15)25-19/h4-10,21H,1-3H3
InChIKeyHVMNEDRVWNWIMF-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.53
Rot. Bonds2

About 2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione

2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione (PubChem CID 51356642) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione.

Molecular Properties

Compound Name2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione
PubChem CID51356642
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione
SMILESCC(C)(C)Nc1oc2c(c1-c1ccoc1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H17NO4/c1-20(2,3)21-19-14(11-8-9-24-10-11)15-16(22)12-6-4-5-7-13(12)17(23)18(15)25-19/h4-10,21H,1-3H3
InChIKeyHVMNEDRVWNWIMF-UHFFFAOYSA-N
XLogP4.53
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylsulfonylphenyl)furan
CID 173345418
2-amino-3-(4-methylphenyl)benzo[f][1]benzofuran-4,9-dione
CID 102362269
1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one
CID 132535887
3-(2-methylphenyl)furan
CID 12768223
3-(2-ethylphenyl)furan
CID 146186542
[2-[2,6-bis(furan-3-yl)phenyl]phenyl]phosphane
CID 174853557
3-(furan-3-yl)-1H-pyridin-2-one
CID 10374724
4-[4,9-dioxo-2-(trifluoromethyl)benzo[f][1]benzofuran-3-yl]benzaldehyde
CID 71545324
2-(furan-3-yl)phenol
CID 22723440
3-amino-1-(furan-3-yl)-9-oxoindeno[2,1-c]pyridine-4-carbonitrile
CID 11601677
ethane;3-phenylfuran
CID 91349399
methyl 2-(chloromethyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxylate
CID 118300484

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione?
The IUPAC name of 2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione (CID 51356642) is 2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione.
What is the SMILES notation for 2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione?
The canonical SMILES for 2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione is CC(C)(C)Nc1oc2c(c1-c1ccoc1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione?
The InChIKey is HVMNEDRVWNWIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-20(2,3)21-19-14(11-8-9-24-10-11)15-16(22)12-6-4-5-7-13(12)17(23)18(15)25-19/h4-10,21H,1-3H3.
What are the key properties of 2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione?
2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione has a molecular weight of 335.36 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-3-(furan-3-yl)benzo[f][1]benzofuran-4,9-dione is sourced from PubChem (CID 51356642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).