N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride

C11H19ClN2O2 — CID 119587685

IUPACN-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccoc1.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-8(2)5-10(6-12)13-11(14)9-3-4-15-7-9;/h3-4,7-8,10H,5-6,12H2,1-2H3,(H,13,14);1H
InChIKeyMYOQYOIGYBTLKD-UHFFFAOYSA-N
MW246.74 g/mol
LogP1.80
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride (PubChem CID 119587685) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride
PubChem CID119587685
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC NameN-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1ccoc1.Cl
InChIInChI=1S/C11H18N2O2.ClH/c1-8(2)5-10(6-12)13-11(14)9-3-4-15-7-9;/h3-4,7-8,10H,5-6,12H2,1-2H3,(H,13,14);1H
InChIKeyMYOQYOIGYBTLKD-UHFFFAOYSA-N
XLogP1.80
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119587572
N-(1-aminopentan-3-yl)furan-3-carboxamide
CID 62653057
N-(1-amino-4-methylpentan-2-yl)thiophene-3-carboxamide;hydrochloride
CID 119588578
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(1-amino-4-methylpentan-2-yl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119586435
N-(1-amino-4-methylpentan-2-yl)-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119588511
N-(1-amino-4-methylpentan-2-yl)-3,4-dichlorobenzamide;hydrochloride
CID 119585468
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide
CID 166630178
N-(1-amino-4-methylpentan-2-yl)-3,5-difluorobenzamide
CID 55242929
N-(1-amino-4-methylpentan-2-yl)-4-propylbenzamide
CID 119588043
(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119363522
2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride (CID 119587685) is N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1ccoc1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride?
The InChIKey is MYOQYOIGYBTLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.ClH/c1-8(2)5-10(6-12)13-11(14)9-3-4-15-7-9;/h3-4,7-8,10H,5-6,12H2,1-2H3,(H,13,14);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)furan-3-carboxamide;hydrochloride is sourced from PubChem (CID 119587685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).