4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

C15H22N2O4 — CID 60809869

IUPAC4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccco1)C(=O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H22N2O4/c1-17(10-13-3-2-8-21-13)14(18)9-16-12-6-4-11(5-7-12)15(19)20/h2-3,8,11-12,16H,4-7,9-10H2,1H3,(H,19,20)
InChIKeyFJLMDKUJVILDKW-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.47
Rot. Bonds6

About 4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid

4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 60809869) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
PubChem CID60809869
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(Cc1ccco1)C(=O)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C15H22N2O4/c1-17(10-13-3-2-8-21-13)14(18)9-16-12-6-4-11(5-7-12)15(19)20/h2-3,8,11-12,16H,4-7,9-10H2,1H3,(H,19,20)
InChIKeyFJLMDKUJVILDKW-UHFFFAOYSA-N
XLogP1.47
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
4-[[benzyl(furan-2-ylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025242
4-[cyclopropyl(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782822
3-[[cyclopropyl(furan-2-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031040
2-(cyclohexylamino)-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42771796
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
3,3-difluoro-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 126785439
4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid
CID 114451272
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51164195
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 27739703

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid (CID 60809869) is 4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is CN(Cc1ccco1)C(=O)CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FJLMDKUJVILDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17(10-13-3-2-8-21-13)14(18)9-16-12-6-4-11(5-7-12)15(19)20/h2-3,8,11-12,16H,4-7,9-10H2,1H3,(H,19,20).
What are the key properties of 4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60809869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).