N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride

C14H25ClN2O2 — CID 119606849

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride
SMILESCCc1oc(C(=O)NC(C)(CN)C(C)C)cc1C.Cl
InChIInChI=1S/C14H24N2O2.ClH/c1-6-11-10(4)7-12(18-11)13(17)16-14(5,8-15)9(2)3;/h7,9H,6,8,15H2,1-5H3,(H,16,17);1H
InChIKeyRMBTUHIXARMINX-UHFFFAOYSA-N
MW288.82 g/mol
LogP2.68
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119606849) has the molecular formula C14H25ClN2O2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride
PubChem CID119606849
Molecular FormulaC14H25ClN2O2
Molecular Weight288.82 g/mol
Exact Mass288.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride
SMILESCCc1oc(C(=O)NC(C)(CN)C(C)C)cc1C.Cl
InChIInChI=1S/C14H24N2O2.ClH/c1-6-11-10(4)7-12(18-11)13(17)16-14(5,8-15)9(2)3;/h7,9H,6,8,15H2,1-5H3,(H,16,17);1H
InChIKeyRMBTUHIXARMINX-UHFFFAOYSA-N
XLogP2.68
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-5,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119605826
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 119609057
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 81486834
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(dimethylsulfamoyl)-5-methylfuran-2-carboxamide;hydrochloride
CID 119609108
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 81485679
N-(1-amino-2,3-dimethylbutan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119608726
N,5-diethyl-4-methylfuran-2-carboxamide
CID 130645001
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119606159
N-(1-amino-2,3-dimethylbutan-2-yl)-3-methylfuran-2-carboxamide
CID 81485681
N-(1-amino-2,3-dimethylbutan-2-yl)-3-iodobenzamide;hydrochloride
CID 119605904
N-(1-amino-2,3-dimethylbutan-2-yl)-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119605837
N-(1-amino-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzamide
CID 81485961

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride (CID 119606849) is N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride is CCc1oc(C(=O)NC(C)(CN)C(C)C)cc1C.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is RMBTUHIXARMINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2.ClH/c1-6-11-10(4)7-12(18-11)13(17)16-14(5,8-15)9(2)3;/h7,9H,6,8,15H2,1-5H3,(H,16,17);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-5-ethyl-4-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119606849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).