2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride

C20H29ClN2O2 — CID 91643966

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)CC2CC3CCC(C2)N3)C2CC2)cc1.Cl
InChIInChI=1S/C20H28N2O2.ClH/c1-24-18-8-4-15(5-9-18)20(14-2-3-14)22-19(23)12-13-10-16-6-7-17(11-13)21-16;/h4-5,8-9,13-14,16-17,20-21H,2-3,6-7,10-12H2,1H3,(H,22,23);1H
InChIKeyWOBQCVVKCHCSBR-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.61
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 91643966) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID91643966
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)CC2CC3CCC(C2)N3)C2CC2)cc1.Cl
InChIInChI=1S/C20H28N2O2.ClH/c1-24-18-8-4-15(5-9-18)20(14-2-3-14)22-19(23)12-13-10-16-6-7-17(11-13)21-16;/h4-5,8-9,13-14,16-17,20-21H,2-3,6-7,10-12H2,1H3,(H,22,23);1H
InChIKeyWOBQCVVKCHCSBR-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-[cyclopentyl-(4-fluorophenyl)methyl]acetamide
CID 119735363
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-[3-(4-methoxyphenyl)butyl]acetamide
CID 119799836
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
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-[bis(3-methoxyphenyl)methyl]acetamide
CID 119812625
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691822
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119894159
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753125
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685958

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride (CID 91643966) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride is COc1ccc(C(NC(=O)CC2CC3CCC(C2)N3)C2CC2)cc1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is WOBQCVVKCHCSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.ClH/c1-24-18-8-4-15(5-9-18)20(14-2-3-14)22-19(23)12-13-10-16-6-7-17(11-13)21-16;/h4-5,8-9,13-14,16-17,20-21H,2-3,6-7,10-12H2,1H3,(H,22,23);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 3.61, 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-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 91643966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).