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

C15H21ClN2O2 — CID 119585558

IUPACN-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cc2ccccc2o1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-10(2)7-12(9-16)17-15(18)14-8-11-5-3-4-6-13(11)19-14;/h3-6,8,10,12H,7,9,16H2,1-2H3,(H,17,18);1H
InChIKeyMRJUTILYQZHLMC-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.96
Rot. Bonds5

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

N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119585558) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119585558
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cc2ccccc2o1.Cl
InChIInChI=1S/C15H20N2O2.ClH/c1-10(2)7-12(9-16)17-15(18)14-8-11-5-3-4-6-13(11)19-14;/h3-6,8,10,12H,7,9,16H2,1-2H3,(H,17,18);1H
InChIKeyMRJUTILYQZHLMC-UHFFFAOYSA-N
XLogP2.96
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride
CID 119586750
N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide
CID 119587111
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-1-benzofuran-2-carboxamide
CID 9049628
N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide
CID 113496418
N-(1-hydroxy-4-methylpentan-2-yl)-4-oxochromene-2-carboxamide
CID 61246614
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride (CID 119585558) is N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cc2ccccc2o1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is MRJUTILYQZHLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c1-10(2)7-12(9-16)17-15(18)14-8-11-5-3-4-6-13(11)19-14;/h3-6,8,10,12H,7,9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 2.96, 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)-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119585558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).