2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid

C15H22N2O4 — CID 61191190

IUPAC2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)NC2CCCCC2C)cc1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-9-5-3-4-6-13(9)17-15(20)16-8-11-7-12(14(18)19)10(2)21-11/h7,9,13H,3-6,8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyCSMIEFSRAUQXMR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid

2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid (PubChem CID 61191190) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
PubChem CID61191190
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
SMILESCc1oc(CNC(=O)NC2CCCCC2C)cc1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-9-5-3-4-6-13(9)17-15(20)16-8-11-7-12(14(18)19)10(2)21-11/h7,9,13H,3-6,8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyCSMIEFSRAUQXMR-UHFFFAOYSA-N
XLogP2.66
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(cyclohexylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61199346
5-[[(2-cyclopentylacetyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 54907246
5-[(dicyclopropylmethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 61480904
2-methyl-5-[[(4-methylazepane-1-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 63625298
5-[(2,2-difluoroethylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 115408082
methyl 2-methyl-5-[[(2-methylcyclopentyl)amino]methyl]furan-3-carboxylate
CID 63278183
5-[[(2,4-dimethylcyclohexyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 103251961
5-[(1-cyclohexylethylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 103249941
5-[[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 102865441
5-[[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226615
2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226417
5-[(2-chloroprop-2-enylcarbamoylamino)methyl]-2-methylfuran-3-carboxylic acid
CID 113464825

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid (CID 61191190) is 2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid is Cc1oc(CNC(=O)NC2CCCCC2C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid?
The InChIKey is CSMIEFSRAUQXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9-5-3-4-6-13(9)17-15(20)16-8-11-7-12(14(18)19)10(2)21-11/h7,9,13H,3-6,8H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid?
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 61191190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).