N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride

C16H23ClN2O2 — CID 119668670

IUPACN-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1oc2ccccc2c1C.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-3-4-7-12(10-17)18-16(19)15-11(2)13-8-5-6-9-14(13)20-15;/h5-6,8-9,12H,3-4,7,10,17H2,1-2H3,(H,18,19);1H
InChIKeyUTZNCYOIWMIBSQ-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.41
Rot. Bonds6

About N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119668670) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119668670
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1oc2ccccc2c1C.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-3-4-7-12(10-17)18-16(19)15-11(2)13-8-5-6-9-14(13)20-15;/h5-6,8-9,12H,3-4,7,10,17H2,1-2H3,(H,18,19);1H
InChIKeyUTZNCYOIWMIBSQ-UHFFFAOYSA-N
XLogP3.41
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119592038
5-[(3-methyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 82845342
butyl 3-methyl-1-benzofuran-2-carboxylate
CID 78915206
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
(2R)-4-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 107822987
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81064139
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride (CID 119668670) is N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1oc2ccccc2c1C.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is UTZNCYOIWMIBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-3-4-7-12(10-17)18-16(19)15-11(2)13-8-5-6-9-14(13)20-15;/h5-6,8-9,12H,3-4,7,10,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-methyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119668670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).