N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride

C18H25ClN2O2 — CID 119567157

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCc1ccc2c(CC(=O)NC3(CN)CCCC3)coc2c1C.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-12-5-6-15-14(10-22-17(15)13(12)2)9-16(21)20-18(11-19)7-3-4-8-18;/h5-6,10H,3-4,7-9,11,19H2,1-2H3,(H,20,21);1H
InChIKeyCBPIVJMULYTJDB-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.40
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride (PubChem CID 119567157) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
PubChem CID119567157
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
SMILESCc1ccc2c(CC(=O)NC3(CN)CCCC3)coc2c1C.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-12-5-6-15-14(10-22-17(15)13(12)2)9-16(21)20-18(11-19)7-3-4-8-18;/h5-6,10H,3-4,7-9,11,19H2,1-2H3,(H,20,21);1H
InChIKeyCBPIVJMULYTJDB-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride (CID 119567157) is N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride is Cc1ccc2c(CC(=O)NC3(CN)CCCC3)coc2c1C.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
The InChIKey is CBPIVJMULYTJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c1-12-5-6-15-14(10-22-17(15)13(12)2)9-16(21)20-18(11-19)7-3-4-8-18;/h5-6,10H,3-4,7-9,11,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119567157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).