5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide

C12H18N2O3 — CID 107222112

IUPAC5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
SMILESNCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)o1
InChIInChI=1S/C12H18N2O3/c13-7-8-5-6-11(17-8)12(16)14-9-3-1-2-4-10(9)15/h5-6,9-10,15H,1-4,7,13H2,(H,14,16)/t9-,10-/m1/s1
InChIKeyNCHHCMSYSIFRHP-NXEZZACHSA-N
MW238.29 g/mol
LogP0.77
Rot. Bonds3

About 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide

5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide (PubChem CID 107222112) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
PubChem CID107222112
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
SMILESNCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)o1
InChIInChI=1S/C12H18N2O3/c13-7-8-5-6-11(17-8)12(16)14-9-3-1-2-4-10(9)15/h5-6,9-10,15H,1-4,7,13H2,(H,14,16)/t9-,10-/m1/s1
InChIKeyNCHHCMSYSIFRHP-NXEZZACHSA-N
XLogP0.77
TPSA88.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-cyclopentyloxyfuran-2-carboxamide
CID 83236233
5-(aminomethyl)-N-(2-propylcyclopropyl)furan-2-carboxamide
CID 103812746
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)furan-2-carboxamide
CID 115741001
5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 83021104
N-(2-hydroxycyclohexyl)-1-benzofuran-2-carboxamide
CID 55064168
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
5-[[(2-hydroxycyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 63317622
5-(aminomethyl)-N-cyclopropylsulfonylfuran-2-carboxamide
CID 103308429
N-[2-(aminomethyl)cyclohexyl]-5-sulfamoylfuran-2-carboxamide
CID 119609825
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide
CID 103809618
5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
N-[(1S,2S)-2-methylcyclohexyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 31462340

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide (CID 107222112) is 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide is NCc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)o1.
What is the InChIKey of 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide?
The InChIKey is NCHHCMSYSIFRHP-NXEZZACHSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-7-8-5-6-11(17-8)12(16)14-9-3-1-2-4-10(9)15/h5-6,9-10,15H,1-4,7,13H2,(H,14,16)/t9-,10-/m1/s1.
What are the key properties of 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide?
5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 107222112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).