N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride

C13H23ClN2O3 — CID 119585925

IUPACN-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
SMILESCOCc1ccc(C(=O)NC(CN)CC(C)C)o1.Cl
InChIInChI=1S/C13H22N2O3.ClH/c1-9(2)6-10(7-14)15-13(16)12-5-4-11(18-12)8-17-3;/h4-5,9-10H,6-8,14H2,1-3H3,(H,15,16);1H
InChIKeyTZJFCCDIRGDCAL-UHFFFAOYSA-N
MW290.79 g/mol
LogP1.95
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride (PubChem CID 119585925) has the molecular formula C13H23ClN2O3 and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
PubChem CID119585925
Molecular FormulaC13H23ClN2O3
Molecular Weight290.79 g/mol
Exact Mass290.14
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
SMILESCOCc1ccc(C(=O)NC(CN)CC(C)C)o1.Cl
InChIInChI=1S/C13H22N2O3.ClH/c1-9(2)6-10(7-14)15-13(16)12-5-4-11(18-12)8-17-3;/h4-5,9-10H,6-8,14H2,1-3H3,(H,15,16);1H
InChIKeyTZJFCCDIRGDCAL-UHFFFAOYSA-N
XLogP1.95
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119585414
N-(1-amino-4-methylpentan-2-yl)-5-nitrofuran-2-carboxamide
CID 63887141
5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide
CID 78847305
N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119585558
N-(1-amino-4-methylpentan-2-yl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 119586050
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 97019509
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119586435
N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 119569164
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332
5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 78827233
5-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)furan-2-carboxamide
CID 106160982

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride (CID 119585925) is N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride is COCc1ccc(C(=O)NC(CN)CC(C)C)o1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride?
The InChIKey is TZJFCCDIRGDCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3.ClH/c1-9(2)6-10(7-14)15-13(16)12-5-4-11(18-12)8-17-3;/h4-5,9-10H,6-8,14H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-5-(methoxymethyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119585925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).