5-(cyclooctylcarbamoyl)furan-3-carboxylic acid

C14H19NO4 — CID 104607014

IUPAC5-(cyclooctylcarbamoyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C14H19NO4/c16-13(12-8-10(9-19-12)14(17)18)15-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,15,16)(H,17,18)
InChIKeyVHKYTSDFNVVXHX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.82
Rot. Bonds3

About 5-(cyclooctylcarbamoyl)furan-3-carboxylic acid

5-(cyclooctylcarbamoyl)furan-3-carboxylic acid (PubChem CID 104607014) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(cyclooctylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclooctylcarbamoyl)furan-3-carboxylic acid
PubChem CID104607014
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-(cyclooctylcarbamoyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NC2CCCCCCC2)c1
InChIInChI=1S/C14H19NO4/c16-13(12-8-10(9-19-12)14(17)18)15-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,15,16)(H,17,18)
InChIKeyVHKYTSDFNVVXHX-UHFFFAOYSA-N
XLogP2.82
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclopent-3-en-1-ylcarbamoyl)furan-3-carboxylic acid
CID 104623373
5-[[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 120550990
5-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]furan-3-carboxylic acid
CID 113432372
5-[(2-methylcyclopropyl)carbamoyl]furan-3-carboxylic acid
CID 104607507
N-cyclopentyl-5-methylfuran-3-carboxamide
CID 114821678
4-(cyclohexylcarbamoyl)furan-2-sulfonic acid
CID 19603924
N-cyclooctylfuran-2-carboxamide
CID 790432
4-(cycloheptanecarbonyl)furan-2-carboxylic acid
CID 84727277
2-amino-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 110848950
5-[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]furan-3-carboxylic acid
CID 104607397
5-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]furan-3-carboxylic acid
CID 104607694
5-[(2-methylcyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
CID 107420211

Frequently Asked Questions

What is the IUPAC name of 5-(cyclooctylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(cyclooctylcarbamoyl)furan-3-carboxylic acid (CID 104607014) is 5-(cyclooctylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(cyclooctylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(cyclooctylcarbamoyl)furan-3-carboxylic acid is O=C(O)c1coc(C(=O)NC2CCCCCCC2)c1.
What is the InChIKey of 5-(cyclooctylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is VHKYTSDFNVVXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-13(12-8-10(9-19-12)14(17)18)15-11-6-4-2-1-3-5-7-11/h8-9,11H,1-7H2,(H,15,16)(H,17,18).
What are the key properties of 5-(cyclooctylcarbamoyl)furan-3-carboxylic acid?
5-(cyclooctylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclooctylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 104607014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).