5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid

C15H22N2O4 — CID 61199346

IUPAC5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)NCC2CCCCC2)cc1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-10-13(14(18)19)7-12(21-10)9-17-15(20)16-8-11-5-3-2-4-6-11/h7,11H,2-6,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyVUMIUEIZWSTFHF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.67
Rot. Bonds5

About 5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid

5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 61199346) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID61199346
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CNC(=O)NCC2CCCCC2)cc1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-10-13(14(18)19)7-12(21-10)9-17-15(20)16-8-11-5-3-2-4-6-11/h7,11H,2-6,8-9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyVUMIUEIZWSTFHF-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
CID 61191190
5-[[2-[(2-cyclohexylacetyl)amino]propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226239
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904
1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 71881577
5-[(2,2-difluoroethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 115408082
5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103249941
5-[(2-chloroprop-2-enylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113464825
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
2-methyl-5-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 63826285
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458
5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 102865441

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid (CID 61199346) is 5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CNC(=O)NCC2CCCCC2)cc1C(=O)O.
What is the InChIKey of 5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is VUMIUEIZWSTFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-13(14(18)19)7-12(21-10)9-17-15(20)16-8-11-5-3-2-4-6-11/h7,11H,2-6,8-9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid?
5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 61199346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).