5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide

C14H22N2O3 — CID 124725027

IUPAC5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)[C@H]2CCCC[C@H]2O)o1
InChIInChI=1S/C14H22N2O3/c1-15-14(18)13-8-7-10(19-13)9-16(2)11-5-3-4-6-12(11)17/h7-8,11-12,17H,3-6,9H2,1-2H3,(H,15,18)/t11-,12+/m0/s1
InChIKeyAVYSPKCBHCKFIZ-NWDGAFQWSA-N
MW266.34 g/mol
LogP1.37
Rot. Bonds4

About 5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide

5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide (PubChem CID 124725027) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide
PubChem CID124725027
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide
SMILESCNC(=O)c1ccc(CN(C)[C@H]2CCCC[C@H]2O)o1
InChIInChI=1S/C14H22N2O3/c1-15-14(18)13-8-7-10(19-13)9-16(2)11-5-3-4-6-12(11)17/h7-8,11-12,17H,3-6,9H2,1-2H3,(H,15,18)/t11-,12+/m0/s1
InChIKeyAVYSPKCBHCKFIZ-NWDGAFQWSA-N
XLogP1.37
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide (CID 124725027) is 5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide is CNC(=O)c1ccc(CN(C)[C@H]2CCCC[C@H]2O)o1.
What is the InChIKey of 5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide?
The InChIKey is AVYSPKCBHCKFIZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-15-14(18)13-8-7-10(19-13)9-16(2)11-5-3-4-6-12(11)17/h7-8,11-12,17H,3-6,9H2,1-2H3,(H,15,18)/t11-,12+/m0/s1.
What are the key properties of 5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide?
5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S,2R)-2-hydroxycyclohexyl]-methylamino]methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 124725027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).