2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride

C21H31ClN2O3 — CID 119747615

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C21H30N2O3.ClH/c24-21(13-15-11-16-8-9-17(12-15)22-16)23-19-6-1-2-7-20(19)26-14-18-5-3-4-10-25-18;/h1-2,6-7,15-18,22H,3-5,8-14H2,(H,23,24);1H
InChIKeyWCXOLFVNLHABRY-UHFFFAOYSA-N
MW394.94 g/mol
LogP3.92
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride (PubChem CID 119747615) has the molecular formula C21H31ClN2O3 and a molecular weight of 394.94 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride
PubChem CID119747615
Molecular FormulaC21H31ClN2O3
Molecular Weight394.94 g/mol
Exact Mass394.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)Nc1ccccc1OCC1CCCCO1
InChIInChI=1S/C21H30N2O3.ClH/c24-21(13-15-11-16-8-9-17(12-15)22-16)23-19-6-1-2-7-20(19)26-14-18-5-3-4-10-25-18;/h1-2,6-7,15-18,22H,3-5,8-14H2,(H,23,24);1H
InChIKeyWCXOLFVNLHABRY-UHFFFAOYSA-N
XLogP3.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.94
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119743213
3-amino-N-[2-(oxan-2-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119302619
2-amino-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide
CID 119302622
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
7-amino-N-[2-(oxan-2-ylmethoxy)phenyl]heptanamide;hydrochloride
CID 119747593
2-[cyclohexyl(methyl)amino]-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817408
2-(diethylamino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813459
N-[2-(oxan-2-ylmethoxy)phenyl]but-2-ynamide
CID 167985248
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylphenyl)acetamide
CID 79607846
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 54787347
N-[4-[2-(oxan-2-ylmethoxy)anilino]-4-oxobutan-2-yl]benzamide
CID 86835563

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride (CID 119747615) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)Nc1ccccc1OCC1CCCCO1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is WCXOLFVNLHABRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3.ClH/c24-21(13-15-11-16-8-9-17(12-15)22-16)23-19-6-1-2-7-20(19)26-14-18-5-3-4-10-25-18;/h1-2,6-7,15-18,22H,3-5,8-14H2,(H,23,24);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 394.94 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(oxan-2-ylmethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119747615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).