7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride

C15H23ClN2O2 — CID 119728510

IUPAC7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C15H22N2O2.ClH/c16-9-4-2-1-3-5-15(18)17-13-6-7-14-12(11-13)8-10-19-14;/h6-7,11H,1-5,8-10,16H2,(H,17,18);1H
InChIKeyQWALCOMSUHKLRW-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.89
Rot. Bonds7

About 7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride

7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride (PubChem CID 119728510) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride
PubChem CID119728510
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C15H22N2O2.ClH/c16-9-4-2-1-3-5-15(18)17-13-6-7-14-12(11-13)8-10-19-14;/h6-7,11H,1-5,8-10,16H2,(H,17,18);1H
InChIKeyQWALCOMSUHKLRW-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-(3,4-dihydro-2H-chromen-6-yl)heptanamide
CID 119767333
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide
CID 107909036
7-amino-N-(2,3-dihydro-1H-inden-5-yl)heptanamide
CID 24700487
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 115173560
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 34439811
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
2-[1-(aminomethyl)cyclohexyl]-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 104677727
1-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-5-yl)cyclobutane-1-carboxamide
CID 113311600
6-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)hexanamide
CID 24691510
2-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 113427707

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride (CID 119728510) is 7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of 7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride?
The InChIKey is QWALCOMSUHKLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c16-9-4-2-1-3-5-15(18)17-13-6-7-14-12(11-13)8-10-19-14;/h6-7,11H,1-5,8-10,16H2,(H,17,18);1H.
What are the key properties of 7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride?
7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2,3-dihydro-1-benzofuran-5-yl)heptanamide;hydrochloride is sourced from PubChem (CID 119728510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).