2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

C14H19NO4 — CID 54867947

IUPAC2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCc1ccco1
InChIInChI=1S/C14H19NO4/c16-13(15-8-7-10-4-3-9-19-10)11-5-1-2-6-12(11)14(17)18/h3-4,9,11-12H,1-2,5-8H2,(H,15,16)(H,17,18)
InChIKeyKOVQEQFQCHGKCE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.83
Rot. Bonds5

About 2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 54867947) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID54867947
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCc1ccco1
InChIInChI=1S/C14H19NO4/c16-13(15-8-7-10-4-3-9-19-10)11-5-1-2-6-12(11)14(17)18/h3-4,9,11-12H,1-2,5-8H2,(H,15,16)(H,17,18)
InChIKeyKOVQEQFQCHGKCE-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
trans-(1R,2R)-2-(2-phenylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 795950
N-[2-(furan-2-yl)ethyl]-2,2,6-trimethylcyclohexane-1-carboxamide
CID 138571933
cis-(1S,2R)-2-[2-(4-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 1265526
cis-(1R,2S)-2-(4-phenylbutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 7034638
cis-(1S,2R)-2-(2-pyridin-4-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 713934
cis-(1S,2R)-2-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106032549
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467
cis-(1S,2R)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51556928
cis-(1R,2S)-2-(furan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 51440657
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 54867947) is 2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCCc1ccco1.
What is the InChIKey of 2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is KOVQEQFQCHGKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-13(15-8-7-10-4-3-9-19-10)11-5-1-2-6-12(11)14(17)18/h3-4,9,11-12H,1-2,5-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 54867947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).