4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

C15H22N2O4 — CID 61188086

IUPAC4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NCc2ccco2)(C(=O)O)CC1
InChIInChI=1S/C15H22N2O4/c1-2-11-5-7-15(8-6-11,13(18)19)17-14(20)16-10-12-4-3-9-21-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyOECPNBRRWRUPGW-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.50
Rot. Bonds5

About 4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 61188086) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID61188086
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NCc2ccco2)(C(=O)O)CC1
InChIInChI=1S/C15H22N2O4/c1-2-11-5-7-15(8-6-11,13(18)19)17-14(20)16-10-12-4-3-9-21-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyOECPNBRRWRUPGW-UHFFFAOYSA-N
XLogP2.50
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-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

1-(furan-2-ylmethylamino)-4-methylcyclohexane-1-carboxylic acid
CID 114990378
4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120530186
1-[2-(carbamoylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 83113849
4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 43341551
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
2-[(4-ethylcyclohexyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61469898
1-[2-(dimethylamino)ethylcarbamoylamino]-4-ethylcyclohexane-1-carboxylic acid
CID 61187593
1-(cyclopentylmethyl)-3-(furan-2-ylmethyl)urea
CID 47172133
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
4-[(furan-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525527
1-(furan-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 114990379
4-ethyl-1-(2-methylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61186572

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 61188086) is 4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)NCc2ccco2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is OECPNBRRWRUPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-11-5-7-15(8-6-11,13(18)19)17-14(20)16-10-12-4-3-9-21-12/h3-4,9,11H,2,5-8,10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61188086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).