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

C15H21NO4 — CID 120820629

IUPAC2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2CCCCC2C)cc1C(=O)O
InChIInChI=1S/C15H21NO4/c1-3-12-10(15(18)19)8-13(20-12)14(17)16-11-7-5-4-6-9(11)2/h8-9,11H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyYIEQMRWOFJLART-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.85
Rot. Bonds4

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

2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid (PubChem CID 120820629) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid
PubChem CID120820629
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC2CCCCC2C)cc1C(=O)O
InChIInChI=1S/C15H21NO4/c1-3-12-10(15(18)19)8-13(20-12)14(17)16-11-7-5-4-6-9(11)2/h8-9,11H,3-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyYIEQMRWOFJLART-UHFFFAOYSA-N
XLogP2.85
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-5-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)furan-3-carboxylic acid
CID 120822376
2-ethyl-5-[(2-methyloxan-4-yl)carbamoyl]furan-3-carboxylic acid
CID 120822597
2-ethyl-5-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]furan-3-carboxylic acid
CID 120822635
5-(3-cyclopentyloxypropylcarbamoyl)-2-ethylfuran-3-carboxylic acid
CID 120822323
5-(1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl)-2-ethylfuran-3-carboxylic acid
CID 120822361
2-ethyl-5-[(2-methoxycyclopentyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822565
2,5-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]furan-3-carboxamide
CID 7028594
5-[2-cyclohexylethyl(methyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821607
2-ethyl-5-[(8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)carbamoyl]furan-3-carboxylic acid
CID 120822748
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
5-[cyclopropyl(propyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120822701
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid (CID 120820629) is 2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NC2CCCCC2C)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid?
The InChIKey is YIEQMRWOFJLART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-12-10(15(18)19)8-13(20-12)14(17)16-11-7-5-4-6-9(11)2/h8-9,11H,3-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(2-methylcyclohexyl)carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120820629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).