N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide

C23H38N2O4 — CID 171593689

IUPACN-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCC2(CC1)CC2)C(C)OCC12CCC(CC1)OC2
InChIInChI=1S/C23H38N2O4/c1-16(2)20(26)24-19(21(27)25-12-10-22(8-9-22)11-13-25)17(3)28-14-23-6-4-18(5-7-23)29-15-23/h16-19H,4-15H2,1-3H3,(H,24,26)
InChIKeyCIODFHUGEQCCJT-UHFFFAOYSA-N
MW406.57 g/mol
LogP2.89
Rot. Bonds7

About N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide

N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide (PubChem CID 171593689) has the molecular formula C23H38N2O4 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide
PubChem CID171593689
Molecular FormulaC23H38N2O4
Molecular Weight406.57 g/mol
Exact Mass406.28
IUPAC NameN-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCC2(CC1)CC2)C(C)OCC12CCC(CC1)OC2
InChIInChI=1S/C23H38N2O4/c1-16(2)20(26)24-19(21(27)25-12-10-22(8-9-22)11-13-25)17(3)28-14-23-6-4-18(5-7-23)29-15-23/h16-19H,4-15H2,1-3H3,(H,24,26)
InChIKeyCIODFHUGEQCCJT-UHFFFAOYSA-N
XLogP2.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide with MolForge

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Related Compounds

N-[(2S,3R)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxo-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-2-yl]acetamide
CID 170759068
N-[1-[3-(difluoromethoxymethyl)piperidin-1-yl]-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane
CID 164604464
(2S,3R)-2-amino-N-methyl-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)butanamide
CID 164604348
tert-butyl (5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-5-[[(2R,3R)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]carbamoyl]-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 175981322
methyl 4-[1-[(2S,3R)-2-amino-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)butanoyl]piperidin-4-yl]-2-hydroxybenzoate
CID 170758942
N-[1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-1-oxo-3-(spiro[3.5]nonan-7-ylmethoxy)butan-2-yl]-2-methylpropanamide
CID 170757934
methyl 5-[1-[(2S,3R)-2-amino-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)butanoyl]piperidin-4-yl]pyridine-2-carboxylate
CID 170759176
(2R,3R)-2-amino-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-[(3S)-3-(trifluoromethoxymethyl)piperidin-1-yl]butan-1-one
CID 175981419
2-[1-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)ethyl]aziridine-1-carboxylic acid
CID 175981292
(2S)-2-[(1R)-1-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)ethyl]aziridine-1-carboxylic acid
CID 175981275
tert-butyl 7-[(2S,3R)-2-amino-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)butanoyl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 170758850
(5S)-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[(2S,3R)-1-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-7-([1,3]thiazolo[4,5-d]pyrimidin-7-yl)-2,7-diazaspiro[3.4]octane-5-carboxamide
CID 174250464

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide (CID 171593689) is N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide is CC(C)C(=O)NC(C(=O)N1CCC2(CC1)CC2)C(C)OCC12CCC(CC1)OC2.
What is the InChIKey of N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide?
The InChIKey is CIODFHUGEQCCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O4/c1-16(2)20(26)24-19(21(27)25-12-10-22(8-9-22)11-13-25)17(3)28-14-23-6-4-18(5-7-23)29-15-23/h16-19H,4-15H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide?
N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide has a molecular weight of 406.57 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-azaspiro[2.5]octan-6-yl)-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 171593689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).