3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride

C17H25ClN2O2 — CID 119318097

IUPAC3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride
SMILESCl.NCCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1
InChIInChI=1S/C17H24N2O2.ClH/c18-9-7-17(20)19(15-3-1-2-4-15)12-13-5-6-16-14(11-13)8-10-21-16;/h5-6,11,15H,1-4,7-10,12,18H2;1H
InChIKeyCXFUMKRUZHHBBT-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.66
Rot. Bonds5

About 3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride

3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride (PubChem CID 119318097) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride
PubChem CID119318097
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride
SMILESCl.NCCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1
InChIInChI=1S/C17H24N2O2.ClH/c18-9-7-17(20)19(15-3-1-2-4-15)12-13-5-6-16-14(11-13)8-10-21-16;/h5-6,11,15H,1-4,7-10,12,18H2;1H
InChIKeyCXFUMKRUZHHBBT-UHFFFAOYSA-N
XLogP2.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)butanamide
CID 119318110
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(methylamino)butanamide;hydrochloride
CID 119774221
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)acetamide
CID 71933671
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110015662
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119318107
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 127856330
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 39362122
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 115163484
1-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-one
CID 114974294
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopentanamine;hydrochloride
CID 120751754

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride (CID 119318097) is 3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride is Cl.NCCC(=O)N(Cc1ccc2c(c1)CCO2)C1CCCC1.
What is the InChIKey of 3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride?
The InChIKey is CXFUMKRUZHHBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c18-9-7-17(20)19(15-3-1-2-4-15)12-13-5-6-16-14(11-13)8-10-21-16;/h5-6,11,15H,1-4,7-10,12,18H2;1H.
What are the key properties of 3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride?
3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119318097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).