2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione

C24H30N2O4 — CID 102309961

IUPAC2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione
SMILESCc1c(NC2CCCCC2)oc2c1C(=O)c1oc(NC3CCCCC3)c(C)c1C2=O
InChIInChI=1S/C24H30N2O4/c1-13-17-19(27)22-18(14(2)24(30-22)26-16-11-7-4-8-12-16)20(28)21(17)29-23(13)25-15-9-5-3-6-10-15/h15-16,25-26H,3-12H2,1-2H3
InChIKeyXNSWQCVVYDYTBD-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.75
Rot. Bonds4

About 2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione

2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione (PubChem CID 102309961) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is 2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione.

Molecular Properties

Compound Name2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione
PubChem CID102309961
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione
SMILESCc1c(NC2CCCCC2)oc2c1C(=O)c1oc(NC3CCCCC3)c(C)c1C2=O
InChIInChI=1S/C24H30N2O4/c1-13-17-19(27)22-18(14(2)24(30-22)26-16-11-7-4-8-12-16)20(28)21(17)29-23(13)25-15-9-5-3-6-10-15/h15-16,25-26H,3-12H2,1-2H3
InChIKeyXNSWQCVVYDYTBD-UHFFFAOYSA-N
XLogP5.75
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione with MolForge

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Launch Full Analysis

Related Compounds

2-(cyclohexylamino)-3-hexylbenzo[f][1]benzofuran-4,9-dione
CID 51356638
1-(cyclohexylamino)-3-phenylindeno[1,2-c]furan-4-one
CID 132535887
2-(cyclohexylamino)-6,6-dimethyl-4-oxo-5,7-dihydro-1-benzofuran-3-carbaldehyde
CID 102258073
2-[(cyclohexylamino)methyl]-3-methylbenzo[g][1]benzofuran-4,5-dione
CID 90682682
dimethyl 2-(4-chlorophenyl)-5-(cyclohexylamino)furan-3,4-dicarboxylate
CID 15506557
6-(cyclohexylamino)-1,3-dimethyl-5-phenylfuro[2,3-d]pyrimidine-2,4-dione
CID 11739678
dimethyl 2-(cyclohexylamino)-5-(6,7-dimethyl-4-oxochromen-3-yl)furan-3,4-dicarboxylate
CID 139223854
2-(cyclohexylamino)-6-methyl-3-(4-nitrophenyl)furo[3,2-c]pyran-4-one
CID 12024771
[5-(cyclohexylamino)-4-(2,5-dimethylbenzoyl)-2-pyridin-4-ylfuran-3-yl]-(2,5-dimethylphenyl)methanone
CID 102177058
3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide
CID 43684686
N-cyclohexylcyclohexanamine;ethane
CID 67925930
6-chloro-4-(cyclohexylamino)-7-methylchromen-2-one
CID 11109082

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione?
The IUPAC name of 2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione (CID 102309961) is 2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione.
What is the SMILES notation for 2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione?
The canonical SMILES for 2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione is Cc1c(NC2CCCCC2)oc2c1C(=O)c1oc(NC3CCCCC3)c(C)c1C2=O.
What is the InChIKey of 2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione?
The InChIKey is XNSWQCVVYDYTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-13-17-19(27)22-18(14(2)24(30-22)26-16-11-7-4-8-12-16)20(28)21(17)29-23(13)25-15-9-5-3-6-10-15/h15-16,25-26H,3-12H2,1-2H3.
What are the key properties of 2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione?
2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione has a molecular weight of 410.51 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(cyclohexylamino)-3,7-dimethylfuro[2,3-f][1]benzofuran-4,8-dione is sourced from PubChem (CID 102309961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).