2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide

C18H26N2O — CID 91843313

IUPAC2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide
SMILESCC(C(=O)NCc1ccccc1)N1CCC2(CCCC2)C1
InChIInChI=1S/C18H26N2O/c1-15(17(21)19-13-16-7-3-2-4-8-16)20-12-11-18(14-20)9-5-6-10-18/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,19,21)
InChIKeyQFJQVDJZUAFXIV-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.96
Rot. Bonds4

About 2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide

2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide (PubChem CID 91843313) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide.

Molecular Properties

Compound Name2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide
PubChem CID91843313
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide
SMILESCC(C(=O)NCc1ccccc1)N1CCC2(CCCC2)C1
InChIInChI=1S/C18H26N2O/c1-15(17(21)19-13-16-7-3-2-4-8-16)20-12-11-18(14-20)9-5-6-10-18/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,19,21)
InChIKeyQFJQVDJZUAFXIV-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(3,3-dimethylpyrrolidin-1-yl)propanoylamino]methyl]benzoic acid
CID 138045796
(2S)-N-(benzylcarbamoyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250096
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732747
(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304
N-benzyl-4-methyl-1-propan-2-ylpiperidine-4-carboxamide
CID 139362651
(2R)-N-benzyl-2-[4-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]piperazin-1-yl]propanamide
CID 97064355
methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate
CID 130161407
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196

Frequently Asked Questions

What is the IUPAC name of 2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide?
The IUPAC name of 2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide (CID 91843313) is 2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide.
What is the SMILES notation for 2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide?
The canonical SMILES for 2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide is CC(C(=O)NCc1ccccc1)N1CCC2(CCCC2)C1.
What is the InChIKey of 2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide?
The InChIKey is QFJQVDJZUAFXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-15(17(21)19-13-16-7-3-2-4-8-16)20-12-11-18(14-20)9-5-6-10-18/h2-4,7-8,15H,5-6,9-14H2,1H3,(H,19,21).
What are the key properties of 2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide?
2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide has a molecular weight of 286.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide is sourced from PubChem (CID 91843313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).