4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid

C14H19NO4 — CID 43341551

IUPAC4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2ccoc2)(C(=O)O)CC1
InChIInChI=1S/C14H19NO4/c1-2-10-3-6-14(7-4-10,13(17)18)15-12(16)11-5-8-19-9-11/h5,8-10H,2-4,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeySMCBCGGCNOGQLL-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.43
Rot. Bonds4

About 4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid

4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 43341551) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID43341551
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)c2ccoc2)(C(=O)O)CC1
InChIInChI=1S/C14H19NO4/c1-2-10-3-6-14(7-4-10,13(17)18)15-12(16)11-5-8-19-9-11/h5,8-10H,2-4,6-7H2,1H3,(H,15,16)(H,17,18)
InChIKeySMCBCGGCNOGQLL-UHFFFAOYSA-N
XLogP2.43
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 43151397
4-ethyl-1-[(2-methylpyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 106752502
4-ethyl-1-[(6-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341548
4-ethyl-1-[(1-methyl-6-oxopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120530176
1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
1-[(6-chloropyridine-2-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 62240588
4-ethyl-1-[(3-methoxythiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 81118011
4-ethyl-1-(furan-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61188086
N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61121408
4-ethyl-1-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120530168
1-[(2,5-dibromothiophene-3-carbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 103925797
4-ethyl-1-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120530186

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid (CID 43341551) is 4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)c2ccoc2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is SMCBCGGCNOGQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-10-3-6-14(7-4-10,13(17)18)15-12(16)11-5-8-19-9-11/h5,8-10H,2-4,6-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid?
4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).