2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide

C17H25N3O — CID 81495718

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC3CCC(C2)N3)c1C
InChIInChI=1S/C17H25N3O/c1-12-4-3-5-16(13(12)2)19-17(21)11-20-9-8-14-6-7-15(10-20)18-14/h3-5,14-15,18H,6-11H2,1-2H3,(H,19,21)
InChIKeyVGZKAZAAVGBWPX-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.07
Rot. Bonds3

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide (PubChem CID 81495718) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide
PubChem CID81495718
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCC3CCC(C2)N3)c1C
InChIInChI=1S/C17H25N3O/c1-12-4-3-5-16(13(12)2)19-17(21)11-20-9-8-14-6-7-15(10-20)18-14/h3-5,14-15,18H,6-11H2,1-2H3,(H,19,21)
InChIKeyVGZKAZAAVGBWPX-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898054
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808
N-(2-chlorophenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81491367
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
N-(2,3-dimethylphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546867
N-(2-chloro-3-pyridinyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81490607
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 81495475
N-(4-bromo-3-methylphenyl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495521
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 11940393

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide (CID 81495718) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCC3CCC(C2)N3)c1C.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is VGZKAZAAVGBWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-4-3-5-16(13(12)2)19-17(21)11-20-9-8-14-6-7-15(10-20)18-14/h3-5,14-15,18H,6-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 287.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 81495718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).