diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate

C22H26N2O7 — CID 16751971

IUPACdiethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate
SMILESCCOC(=O)c1c(NC2CCCCC2)oc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)OCC
InChIInChI=1S/C22H26N2O7/c1-3-29-21(25)17-18(22(26)30-4-2)20(23-15-8-6-5-7-9-15)31-19(17)14-10-12-16(13-11-14)24(27)28/h10-13,15,23H,3-9H2,1-2H3
InChIKeySETVNLZMDQKEHE-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.95
Rot. Bonds8

About diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate

diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate (PubChem CID 16751971) has the molecular formula C22H26N2O7 and a molecular weight of 430.46 g/mol. Its IUPAC name is diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate
PubChem CID16751971
Molecular FormulaC22H26N2O7
Molecular Weight430.46 g/mol
Exact Mass430.17
IUPAC Namediethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate
SMILESCCOC(=O)c1c(NC2CCCCC2)oc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)OCC
InChIInChI=1S/C22H26N2O7/c1-3-29-21(25)17-18(22(26)30-4-2)20(23-15-8-6-5-7-9-15)31-19(17)14-10-12-16(13-11-14)24(27)28/h10-13,15,23H,3-9H2,1-2H3
InChIKeySETVNLZMDQKEHE-UHFFFAOYSA-N
XLogP4.95
TPSA120.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-ethyl-6-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]-4-oxoquinoline-3-carboxylate
CID 168278034
Dimethyl 2-(cyclohexylamino)-5-(4-fluorophenyl)furan-3,4-dicarboxylate
CID 12995889
Dimethyl 2-(cyclohexylamino)-5-[4-(trifluoromethyl)phenyl]furan-3,4-dicarboxylate
CID 102155952
(2-Methyl-5-(4-nitrophenyl)furan-3-yl)(morpholino)methanone
CID 7463824
2-methyl-N-(4-methylphenyl)-5-(3-nitrophenyl)furan-3-carboxamide
CID 7464409
2-((2-methoxyethyl)amino)-6-methyl-3-(2-nitrophenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462528
2-((2-methoxyethyl)amino)-6-methyl-3-(4-nitrophenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462530
2-((2-methoxyethyl)amino)-8-methyl-3-(3-nitrophenyl)-4H-furo[3,2-c]chromen-4-one
CID 16462531
Ethyl 6-methyl-4-[5-(4-nitrophenyl)furan-2-yl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2726163
2-(Cyclohexylamino)-3-(4-nitrophenyl)-4h-furo[3,2-c]chromen-4-one
CID 11200525
2-(t-Butylamino)-6-methyl-3-(4-nitrophenyl)-4h-furo[3,2-c]pyran-4-one
CID 11325323
2-(Cyclohexylamino)-6,6-dimethyl-3-(4-nitrophenyl)-6,7-dihydro-1-benzofuran-4(5h)-one
CID 11326533

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate?
The IUPAC name of diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate (CID 16751971) is diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate.
What is the SMILES notation for diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate?
The canonical SMILES for diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate is CCOC(=O)c1c(NC2CCCCC2)oc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)OCC.
What is the InChIKey of diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate?
The InChIKey is SETVNLZMDQKEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7/c1-3-29-21(25)17-18(22(26)30-4-2)20(23-15-8-6-5-7-9-15)31-19(17)14-10-12-16(13-11-14)24(27)28/h10-13,15,23H,3-9H2,1-2H3.
What are the key properties of diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate?
diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate has a molecular weight of 430.46 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(cyclohexylamino)-5-(4-nitrophenyl)furan-3,4-dicarboxylate is sourced from PubChem (CID 16751971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).