5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid

C15H14N2O6 — CID 69241870

IUPAC5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C15H14N2O6/c1-2-22-14(20)9-3-5-10(6-4-9)16-15(21)17-12-8-7-11(23-12)13(18)19/h3-8H,2H2,1H3,(H,18,19)(H2,16,17,21)
InChIKeyQJWWUBDZBIMJQM-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.80
Rot. Bonds5

About 5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid

5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid (PubChem CID 69241870) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is 5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid
PubChem CID69241870
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid
SMILESCCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C15H14N2O6/c1-2-22-14(20)9-3-5-10(6-4-9)16-15(21)17-12-8-7-11(23-12)13(18)19/h3-8H,2H2,1H3,(H,18,19)(H2,16,17,21)
InChIKeyQJWWUBDZBIMJQM-UHFFFAOYSA-N
XLogP2.80
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
ethyl 4-[(4-bromo-3-methylphenyl)carbamoylamino]benzoate
CID 46859887
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
ethyl 4-[[3-(4-ethylanilino)-3-oxopropanoyl]amino]benzoate
CID 108954068
2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 143182996
ethyl 4-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]benzoate
CID 11632715
ethyl 4-[(5-bromofuran-2-carbonyl)amino]benzoate
CID 703718
4-[(4-ethylphenyl)carbamoylamino]benzoic acid
CID 23551476

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid (CID 69241870) is 5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid is CCOC(=O)c1ccc(NC(=O)Nc2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid?
The InChIKey is QJWWUBDZBIMJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6/c1-2-22-14(20)9-3-5-10(6-4-9)16-15(21)17-12-8-7-11(23-12)13(18)19/h3-8H,2H2,1H3,(H,18,19)(H2,16,17,21).
What are the key properties of 5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid?
5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid has a molecular weight of 318.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid is sourced from PubChem (CID 69241870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).