2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide

C19H27ClN2O2 — CID 119794059

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide
SMILESCOC(c1ccc(Cl)cc1)C(C)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C19H27ClN2O2/c1-12(19(24-2)14-3-5-15(20)6-4-14)21-18(23)11-13-9-16-7-8-17(10-13)22-16/h3-6,12-13,16-17,19,22H,7-11H2,1-2H3,(H,21,23)
InChIKeyXSDANSNHDDRFQO-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.45
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide (PubChem CID 119794059) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide
PubChem CID119794059
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide
SMILESCOC(c1ccc(Cl)cc1)C(C)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C19H27ClN2O2/c1-12(19(24-2)14-3-5-15(20)6-4-14)21-18(23)11-13-9-16-7-8-17(10-13)22-16/h3-6,12-13,16-17,19,22H,7-11H2,1-2H3,(H,21,23)
InChIKeyXSDANSNHDDRFQO-UHFFFAOYSA-N
XLogP3.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-3-methylbutyl]acetamide;hydrochloride
CID 119799887
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119699940
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-chlorophenyl)-(2-methylcyclopropyl)methyl]acetamide;hydrochloride
CID 119806177
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-diphenylpropan-2-yl)acetamide;hydrochloride
CID 119716625
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119804648
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 99775305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 91643966
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119721040
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide (CID 119794059) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide is COC(c1ccc(Cl)cc1)C(C)NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide?
The InChIKey is XSDANSNHDDRFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-12(19(24-2)14-3-5-15(20)6-4-14)21-18(23)11-13-9-16-7-8-17(10-13)22-16/h3-6,12-13,16-17,19,22H,7-11H2,1-2H3,(H,21,23).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide has a molecular weight of 350.89 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 119794059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).