2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid

C17H19NO6 — CID 120820781

IUPAC2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCOc2ccc(OC)cc2)cc1C(=O)O
InChIInChI=1S/C17H19NO6/c1-3-14-13(17(20)21)10-15(24-14)16(19)18-8-9-23-12-6-4-11(22-2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZTWCHXIPAUAISZ-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.36
Rot. Bonds8

About 2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid

2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120820781) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid
PubChem CID120820781
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCCOc2ccc(OC)cc2)cc1C(=O)O
InChIInChI=1S/C17H19NO6/c1-3-14-13(17(20)21)10-15(24-14)16(19)18-8-9-23-12-6-4-11(22-2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZTWCHXIPAUAISZ-UHFFFAOYSA-N
XLogP2.36
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-[2-[4-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
CID 120821253
2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822184
2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
CID 120821740
2-ethyl-5-[3-(2-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821672
2-ethyl-5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120820753
2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821645
5-[3-(4-bromo-2-fluorophenyl)propylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821911
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
2-ethyl-5-(3-indol-1-ylpropylcarbamoyl)furan-3-carboxylic acid
CID 120820708
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821000
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390918

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid (CID 120820781) is 2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NCCOc2ccc(OC)cc2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is ZTWCHXIPAUAISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-3-14-13(17(20)21)10-15(24-14)16(19)18-8-9-23-12-6-4-11(22-2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120820781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).