5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid

C18H26N2O5 — CID 119226239

IUPAC5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)C(C)NC(=O)CC2CCCCC2)cc1C(=O)O
InChIInChI=1S/C18H26N2O5/c1-11(20-16(21)8-13-6-4-3-5-7-13)17(22)19-10-14-9-15(18(23)24)12(2)25-14/h9,11,13H,3-8,10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyUUNNNWYYQYJSRV-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.38
Rot. Bonds7

About 5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid

5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 119226239) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
PubChem CID119226239
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)C(C)NC(=O)CC2CCCCC2)cc1C(=O)O
InChIInChI=1S/C18H26N2O5/c1-11(20-16(21)8-13-6-4-3-5-7-13)17(22)19-10-14-9-15(18(23)24)12(2)25-14/h9,11,13H,3-8,10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKeyUUNNNWYYQYJSRV-UHFFFAOYSA-N
XLogP2.38
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide
CID 95305329
2-methyl-5-[[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]furan-3-carboxylic acid
CID 61465569
5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103249941
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458
2-methyl-5-[(4-methylpentanoylamino)methyl]furan-3-carboxylic acid
CID 54907438
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904
4-[2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]ethyl]benzoic acid
CID 119168621
2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 120523930
5-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 61202805
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
CID 61191190

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid (CID 119226239) is 5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)C(C)NC(=O)CC2CCCCC2)cc1C(=O)O.
What is the InChIKey of 5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is UUNNNWYYQYJSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-11(20-16(21)8-13-6-4-3-5-7-13)17(22)19-10-14-9-15(18(23)24)12(2)25-14/h9,11,13H,3-8,10H2,1-2H3,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid?
5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 119226239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).