dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate

C20H23NO5 — CID 134873038

IUPACdimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(c2ccccc2)O/C1=N\C1CCCCC1
InChIInChI=1S/C20H23NO5/c1-24-19(22)15-16(20(23)25-2)18(21-14-11-7-4-8-12-14)26-17(15)13-9-5-3-6-10-13/h3,5-6,9-10,14,17H,4,7-8,11-12H2,1-2H3/b21-18-
InChIKeyJVCOTTOKWJJWTQ-UZYVYHOESA-N
MW357.41 g/mol
LogP3.13
Rot. Bonds4

About dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate

dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate (PubChem CID 134873038) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate
PubChem CID134873038
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namedimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(c2ccccc2)O/C1=N\C1CCCCC1
InChIInChI=1S/C20H23NO5/c1-24-19(22)15-16(20(23)25-2)18(21-14-11-7-4-8-12-14)26-17(15)13-9-5-3-6-10-13/h3,5-6,9-10,14,17H,4,7-8,11-12H2,1-2H3/b21-18-
InChIKeyJVCOTTOKWJJWTQ-UZYVYHOESA-N
XLogP3.13
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
(4S, 5R) 5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid methyl ester
CID 719713
methyl (4S,5S)-2-phenyl-5-(3-phenylmethoxypropyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 11142748
methyl (4S,5R)-2-phenyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 25229394
(4s,5s)-2-Phenyl-4-(methoxycarbonyl)-5-isopropyloxazoline
CID 398460
2-Phenyl-4-carbomethoxy-5-methyl-cis-oxazoline
CID 719715
methyl (4R,5S)-2-phenyl-5-propan-2-yl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 11032196
trans-4-Methoxycarbonyl-5-phenyl-2-oxazoline
CID 11195076
4-Methoxycarbonyl-5-phenyl-2-oxazoline
CID 11615392
methyl (4S,5R)-5-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 11805844
Ethyl 2-[4-[(2-fluorophenyl)methyl]-2-(4-methylcyclohexyl)imino-5-oxofuran-3-yl]acetate
CID 166163601
Ethyl 2-[4-[(3,4-difluorophenyl)methyl]-2-(4-methylcyclohexyl)imino-5-oxofuran-3-yl]acetate
CID 172141445

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate?
The IUPAC name of dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate (CID 134873038) is dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate?
The canonical SMILES for dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate is COC(=O)C1=C(C(=O)OC)C(c2ccccc2)O/C1=N\C1CCCCC1.
What is the InChIKey of dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate?
The InChIKey is JVCOTTOKWJJWTQ-UZYVYHOESA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-19(22)15-16(20(23)25-2)18(21-14-11-7-4-8-12-14)26-17(15)13-9-5-3-6-10-13/h3,5-6,9-10,14,17H,4,7-8,11-12H2,1-2H3/b21-18-.
What are the key properties of dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate?
dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate has a molecular weight of 357.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-cyclohexylimino-2-phenyl-2H-furan-3,4-dicarboxylate is sourced from PubChem (CID 134873038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).