N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride

C18H25ClN2O2 — CID 119592038

IUPACN-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(CN)C2CCCCC2)oc2ccccc12.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-12-14-9-5-6-10-16(14)22-17(12)18(21)20-15(11-19)13-7-3-2-4-8-13;/h5-6,9-10,13,15H,2-4,7-8,11,19H2,1H3,(H,20,21);1H
InChIKeyQGJLIBFWGXUNHY-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.80
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119592038) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119592038
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(CN)C2CCCCC2)oc2ccccc12.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-12-14-9-5-6-10-16(14)22-17(12)18(21)20-15(11-19)13-7-3-2-4-8-13;/h5-6,9-10,13,15H,2-4,7-8,11,19H2,1H3,(H,20,21);1H
InChIKeyQGJLIBFWGXUNHY-UHFFFAOYSA-N
XLogP3.80
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119616565
N-(2-amino-1-cyclopropylethyl)-3,7-dimethyl-1-benzofuran-2-carboxamide
CID 119617716
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-[2-(cycloheptylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119621397
N-[2-(aminomethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 119605138
N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119668670
N-(2-amino-1-cyclohexylethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 81485921
N-(2-amino-1-cyclopropylethyl)-3-(thiophen-2-ylsulfanylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119614459
N-(2-amino-1-cyclopropylethyl)-3-[(2-fluorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxamide
CID 119617081
N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119591831
[2-(cyclohexylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653287
N-(2-amino-1-cyclohexylethyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119591832

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (CID 119592038) is N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is Cc1c(C(=O)NC(CN)C2CCCCC2)oc2ccccc12.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is QGJLIBFWGXUNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c1-12-14-9-5-6-10-16(14)22-17(12)18(21)20-15(11-19)13-7-3-2-4-8-13;/h5-6,9-10,13,15H,2-4,7-8,11,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119592038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).