N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride

C13H23ClN2O2 — CID 119597800

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride
SMILESCc1ccoc1C(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-9(2)7-13(4,8-14)15-12(16)11-10(3)5-6-17-11;/h5-6,9H,7-8,14H2,1-4H3,(H,15,16);1H
InChIKeyBIVSDUUPBHBPHL-UHFFFAOYSA-N
MW274.79 g/mol
LogP2.50
Rot. Bonds5

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

N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119597800) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride
PubChem CID119597800
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride
SMILESCc1ccoc1C(=O)NC(C)(CN)CC(C)C.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-9(2)7-13(4,8-14)15-12(16)11-10(3)5-6-17-11;/h5-6,9H,7-8,14H2,1-4H3,(H,15,16);1H
InChIKeyBIVSDUUPBHBPHL-UHFFFAOYSA-N
XLogP2.50
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81485681
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N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
CID 119598613
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-(1-chloro-2-methylpropan-2-yl)-3-methylfuran-2-carboxamide
CID 114295373
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride (CID 119597800) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride is Cc1ccoc1C(=O)NC(C)(CN)CC(C)C.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is BIVSDUUPBHBPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c1-9(2)7-13(4,8-14)15-12(16)11-10(3)5-6-17-11;/h5-6,9H,7-8,14H2,1-4H3,(H,15,16);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119597800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).