N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride

C12H21ClN2O2 — CID 119640929

IUPACN-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccoc1C.Cl
InChIInChI=1S/C12H20N2O2.ClH/c1-4-12(13,5-2)8-14-11(15)10-6-7-16-9(10)3;/h6-7H,4-5,8,13H2,1-3H3,(H,14,15);1H
InChIKeySEBYNXOMJKHSIV-UHFFFAOYSA-N
MW260.76 g/mol
LogP2.26
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride (PubChem CID 119640929) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride
PubChem CID119640929
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC NameN-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccoc1C.Cl
InChIInChI=1S/C12H20N2O2.ClH/c1-4-12(13,5-2)8-14-11(15)10-6-7-16-9(10)3;/h6-7H,4-5,8,13H2,1-3H3,(H,14,15);1H
InChIKeySEBYNXOMJKHSIV-UHFFFAOYSA-N
XLogP2.26
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-amino-2-ethylbutyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119643217
N-[2-[(2-amino-2-methylpropyl)carbamoyl]-5-chlorophenyl]-2-methylfuran-3-carboxamide;hydrochloride
CID 119629869
N-(2-amino-2-ethylbutyl)-5-bromo-2-chlorobenzamide;hydrochloride
CID 119642954
2-methyl-N-pentylfuran-3-carboxamide
CID 4127379
N-(2-amino-2-ethylbutyl)-2-iodo-5-methylbenzamide
CID 119641175
N-(2-amino-2-ethylbutyl)-2-benzoylbenzamide;hydrochloride
CID 119639602
N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide
CID 81483938
N-[[4-(aminomethyl)phenyl]methyl]-2-methylfuran-3-carboxamide
CID 54936543
2-methyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 35352937
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
N-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride (CID 119640929) is N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1ccoc1C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride?
The InChIKey is SEBYNXOMJKHSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.ClH/c1-4-12(13,5-2)8-14-11(15)10-6-7-16-9(10)3;/h6-7H,4-5,8,13H2,1-3H3,(H,14,15);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride has a molecular weight of 260.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119640929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).