dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate

C20H23NO5 — CID 15506553

IUPACdimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate
SMILESCOC(=O)c1c(NC2CCCCC2)oc(-c2ccccc2)c1C(=O)OC
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/h3,5-6,9-10,14,21H,4,7-8,11-12H2,1-2H3
InChIKeyUJGMNLKGHQCTKM-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.26
Rot. Bonds5

About dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate

dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate (PubChem CID 15506553) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate
PubChem CID15506553
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namedimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate
SMILESCOC(=O)c1c(NC2CCCCC2)oc(-c2ccccc2)c1C(=O)OC
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/h3,5-6,9-10,14,21H,4,7-8,11-12H2,1-2H3
InChIKeyUJGMNLKGHQCTKM-UHFFFAOYSA-N
XLogP4.26
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-{3-[(2-Methyl-5-phenyl-3-furoyl)amino]phenyl}acrylic acid
CID 673109
[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[2-(4-phenylpiperazin-1-yl)ethyl]carbamate
CID 155535169
3-{3-[(2-Methyl-5-phenyl-furan-3-carbonyl)-amino]-phenyl}-acrylic acid
CID 2258032
4-[(2-Methyl-5-phenyl-furan-3-carbonyl)-amino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester
CID 6476907
[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-[3-(4-phenylpiperazin-1-yl)propyl]carbamate
CID 155550192
Cyclohexyl-carbamic acid 3-(4-carbamoyl-5-methyl-furan-2-yl)-phenyl ester
CID 46916562
[3-(3-carbamoyl-5-methylfuran-2-yl)phenyl] N-cyclohexylcarbamate
CID 46916564
3-[(5-Tert-butyl-2-methylfuran-3-carbonyl)amino]-3-phenylpropanoic acid
CID 118727473
(4-[(2-Methyl-5-phenyl-furan-3-carbonyl)-amino]-phenyl)-acetic acid
CID 878893
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
Methyl 5-[tert-butyl-[2-(tert-butylamino)ethyl]amino]-4-phenyl-2-[4-(trifluoromethyl)phenyl]furan-3-carboxylate
CID 135054499

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate (CID 15506553) is dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate is COC(=O)c1c(NC2CCCCC2)oc(-c2ccccc2)c1C(=O)OC.
What is the InChIKey of dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate?
The InChIKey is UJGMNLKGHQCTKM-UHFFFAOYSA-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/h3,5-6,9-10,14,21H,4,7-8,11-12H2,1-2H3.
What are the key properties of dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate?
dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate has a molecular weight of 357.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(cyclohexylamino)-5-phenylfuran-3,4-dicarboxylate is sourced from PubChem (CID 15506553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).