5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid

C17H25NO4 — CID 120821607

IUPAC5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N(C)CCC2CCCCC2)cc1C(=O)O
InChIInChI=1S/C17H25NO4/c1-3-14-13(17(20)21)11-15(22-14)16(19)18(2)10-9-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,20,21)
InChIKeyWFFJYPVTTLELJB-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.58
Rot. Bonds6

About 5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid

5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120821607) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120821607
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N(C)CCC2CCCCC2)cc1C(=O)O
InChIInChI=1S/C17H25NO4/c1-3-14-13(17(20)21)11-15(22-14)16(19)18(2)10-9-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,20,21)
InChIKeyWFFJYPVTTLELJB-UHFFFAOYSA-N
XLogP3.58
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120821607) is 5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)N(C)CCC2CCCCC2)cc1C(=O)O.
What is the InChIKey of 5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is WFFJYPVTTLELJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-3-14-13(17(20)21)11-15(22-14)16(19)18(2)10-9-12-7-5-4-6-8-12/h11-12H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120821607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).