N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride

C18H25ClN2O2 — CID 119458979

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CC1OCCc2ccccc21)NC1CC2CCC(C1)N2
InChIInChI=1S/C18H24N2O2.ClH/c21-18(20-15-9-13-5-6-14(10-15)19-13)11-17-16-4-2-1-3-12(16)7-8-22-17;/h1-4,13-15,17,19H,5-11H2,(H,20,21);1H
InChIKeyHUFCEWOKETZKDH-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.51
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride (PubChem CID 119458979) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
PubChem CID119458979
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CC1OCCc2ccccc21)NC1CC2CCC(C1)N2
InChIInChI=1S/C18H24N2O2.ClH/c21-18(20-15-9-13-5-6-14(10-15)19-13)11-17-16-4-2-1-3-12(16)7-8-22-17;/h1-4,13-15,17,19H,5-11H2,(H,20,21);1H
InChIKeyHUFCEWOKETZKDH-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-1H-isochromen-1-yl)-N-piperidin-3-ylacetamide
CID 119428540
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 99107193
(1S,2R,3S,4S)-3-[[2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]acetyl]amino]bicyclo[2.2.1]heptane-2-carboxamide
CID 129425010
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[(3R)-1-propanoylpyrrolidin-3-yl]acetamide
CID 96542700
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
CID 119621136
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119621137
2-cyclopropyl-2-[[2-(3,4-dihydro-1H-isochromen-1-yl)acetyl]amino]acetic acid
CID 119213291
N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119408439
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120826800
2-(3,4-dihydro-1H-isochromen-1-yl)-1-(2-methylcyclopropyl)ethanone
CID 65421680
1-(3-bicyclo[3.1.0]hexanyl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 114977102
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119524618

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride (CID 119458979) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride is Cl.O=C(CC1OCCc2ccccc21)NC1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride?
The InChIKey is HUFCEWOKETZKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c21-18(20-15-9-13-5-6-14(10-15)19-13)11-17-16-4-2-1-3-12(16)7-8-22-17;/h1-4,13-15,17,19H,5-11H2,(H,20,21);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119458979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).