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

C17H23ClN2O2 — CID 119673318

IUPACN-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
SMILESCC(=O)c1cccc(NC(=O)CC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-11(20)13-3-2-4-14(10-13)19-17(21)9-12-7-15-5-6-16(8-12)18-15;/h2-4,10,12,15-16,18H,5-9H2,1H3,(H,19,21);1H
InChIKeyNBJIPQHVRVBSBA-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.17
Rot. Bonds4

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

N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride (PubChem CID 119673318) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
PubChem CID119673318
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
SMILESCC(=O)c1cccc(NC(=O)CC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C17H22N2O2.ClH/c1-11(20)13-3-2-4-14(10-13)19-17(21)9-12-7-15-5-6-16(8-12)18-15;/h2-4,10,12,15-16,18H,5-9H2,1H3,(H,19,21);1H
InChIKeyNBJIPQHVRVBSBA-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119687681
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
CID 119709596
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 119702054
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 119714267
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfonylphenyl)acetamide;hydrochloride
CID 119694305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 122080255
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylsulfonylmethyl)phenyl]acetamide;hydrochloride
CID 119756851
N-(3-acetylphenyl)-2-(1,1-dioxothian-4-yl)acetamide
CID 110861049
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723472
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 119717801
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride (CID 119673318) is N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride is CC(=O)c1cccc(NC(=O)CC2CC3CCC(C2)N3)c1.Cl.
What is the InChIKey of N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride?
The InChIKey is NBJIPQHVRVBSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/c1-11(20)13-3-2-4-14(10-13)19-17(21)9-12-7-15-5-6-16(8-12)18-15;/h2-4,10,12,15-16,18H,5-9H2,1H3,(H,19,21);1H.
What are the key properties of N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride?
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119673318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).