2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide

C18H26N2O — CID 79611025

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc(CCNC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C18H26N2O/c1-13-3-2-4-14(9-13)7-8-19-18(21)12-15-10-16-5-6-17(11-15)20-16/h2-4,9,15-17,20H,5-8,10-12H2,1H3,(H,19,21)
InChIKeyBXVQISNPYWVBQM-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.57
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide (PubChem CID 79611025) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
PubChem CID79611025
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc(CCNC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C18H26N2O/c1-13-3-2-4-14(9-13)7-8-19-18(21)12-15-10-16-5-6-17(11-15)20-16/h2-4,9,15-17,20H,5-8,10-12H2,1H3,(H,19,21)
InChIKeyBXVQISNPYWVBQM-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride
CID 119759800
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide
CID 119757001
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride
CID 119810421
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119774842
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-benzofuran-2-yl)ethyl]acetamide
CID 119799136
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119781344
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 79607241
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 119715914
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 119842534
N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110627806
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 119754660

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide (CID 79611025) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide is Cc1cccc(CCNC(=O)CC2CC3CCC(C2)N3)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide?
The InChIKey is BXVQISNPYWVBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-3-2-4-14(9-13)7-8-19-18(21)12-15-10-16-5-6-17(11-15)20-16/h2-4,9,15-17,20H,5-8,10-12H2,1H3,(H,19,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide has a molecular weight of 286.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 79611025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).