2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid

C14H19NO4 — CID 120822379

IUPAC2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2(CC)CCC2)cc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-10-9(13(17)18)8-11(19-10)12(16)15-14(4-2)6-5-7-14/h8H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHATLWJUDIBNTJV-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.60
Rot. Bonds5

About 2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid

2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 120822379) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
PubChem CID120822379
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2(CC)CCC2)cc1C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-10-9(13(17)18)8-11(19-10)12(16)15-14(4-2)6-5-7-14/h8H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHATLWJUDIBNTJV-UHFFFAOYSA-N
XLogP2.60
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 120686844
2-ethyl-5-[[1-(4-fluorophenyl)cyclopentyl]carbamoyl]furan-3-carboxylic acid
CID 120821464
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
2-ethyl-5-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]furan-3-carboxylic acid
CID 120822622
2-ethyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]carbamoyl]furan-3-carboxylic acid
CID 120822527
3-[(1-ethylcyclobutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369989
2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid
CID 120820629
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-(4-ethyl-4-hydroxypiperidine-1-carbonyl)furan-3-carboxylic acid
CID 120822043
5-[(3-ethoxy-2,2-diethylcyclobutyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822495
5-(2-adamantylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120822201
2-ethyl-5-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]furan-3-carboxylic acid
CID 120821493

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid (CID 120822379) is 2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NC2(CC)CCC2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is HATLWJUDIBNTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-10-9(13(17)18)8-11(19-10)12(16)15-14(4-2)6-5-7-14/h8H,3-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(1-ethylcyclobutyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).