4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid

C16H23NO5 — CID 120673694

IUPAC4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOCC(NC(=O)C1CCC(C(=O)O)CC1)c1ccc(C)o1
InChIInChI=1S/C16H23NO5/c1-10-3-8-14(22-10)13(9-21-2)17-15(18)11-4-6-12(7-5-11)16(19)20/h3,8,11-13H,4-7,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGBWLBNIRBWFBNN-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.28
Rot. Bonds6

About 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673694) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673694
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOCC(NC(=O)C1CCC(C(=O)O)CC1)c1ccc(C)o1
InChIInChI=1S/C16H23NO5/c1-10-3-8-14(22-10)13(9-21-2)17-15(18)11-4-6-12(7-5-11)16(19)20/h3,8,11-13H,4-7,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyGBWLBNIRBWFBNN-UHFFFAOYSA-N
XLogP2.28
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 75390426
2-hydroxy-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-2-phenylacetamide
CID 111562734
2-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-1-piperidin-1-ylethanone
CID 75504575
1-[4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 84588857
4-[[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122004789
[2-methoxy-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105321671
(2S,4S)-N-[1-(5-ethylfuran-2-yl)-2-methoxyethyl]-2-methylpiperidine-4-carboxamide
CID 120637446
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
cis-(1S,3R)-3-[[(1R)-2-methoxy-1-pyridin-2-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284882
4-[(2-methoxy-1-phenylethyl)amino]cyclohexane-1-carboxylic acid
CID 103466167
1-[[1-(5-ethylfuran-2-yl)-2-methoxyethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122003589

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120673694) is 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid is COCC(NC(=O)C1CCC(C(=O)O)CC1)c1ccc(C)o1.
What is the InChIKey of 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GBWLBNIRBWFBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-10-3-8-14(22-10)13(9-21-2)17-15(18)11-4-6-12(7-5-11)16(19)20/h3,8,11-13H,4-7,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 309.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).