N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride

C16H27ClN2O2 — CID 119590238

IUPACN-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride
SMILESCCc1oc(C(=O)NC(CN)C2CCCCC2)cc1C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-14-11(2)9-15(20-14)16(19)18-13(10-17)12-7-5-4-6-8-12;/h9,12-13H,3-8,10,17H2,1-2H3,(H,18,19);1H
InChIKeyZPMXSNBOPOQWOC-UHFFFAOYSA-N
MW314.86 g/mol
LogP3.21
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119590238) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride
PubChem CID119590238
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride
SMILESCCc1oc(C(=O)NC(CN)C2CCCCC2)cc1C.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-3-14-11(2)9-15(20-14)16(19)18-13(10-17)12-7-5-4-6-8-12;/h9,12-13H,3-8,10,17H2,1-2H3,(H,18,19);1H
InChIKeyZPMXSNBOPOQWOC-UHFFFAOYSA-N
XLogP3.21
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119592207
N-(2-amino-1-cyclohexylethyl)-5-methylfuro[3,2-b]pyridine-2-carboxamide
CID 119592125
N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 81485921
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclopentylethyl)-2,5-dimethylfuran-3-carboxamide
CID 106737497
N-(2-amino-1-cyclohexylethyl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119589284
N-(2-amino-1-cyclopentylethyl)-5-bromofuran-2-carboxamide
CID 106737570
N-(2-amino-1-cyclopentylethyl)-5-ethylthiophene-2-carboxamide
CID 106737412
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119617392
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclohexylethyl)-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 119589648

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride (CID 119590238) is N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride is CCc1oc(C(=O)NC(CN)C2CCCCC2)cc1C.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is ZPMXSNBOPOQWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-3-14-11(2)9-15(20-14)16(19)18-13(10-17)12-7-5-4-6-8-12;/h9,12-13H,3-8,10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119590238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).