4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one

C19H25NO4 — CID 126779268

IUPAC4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCC(=O)N2CCC3(CCOC3)C2)cc1
InChIInChI=1S/C19H25NO4/c1-15(21)2-3-16-4-6-17(7-5-16)24-12-18(22)20-10-8-19(13-20)9-11-23-14-19/h4-7H,2-3,8-14H2,1H3
InChIKeyADHXSKLOCYYLDF-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.23
Rot. Bonds6

About 4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one

4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one (PubChem CID 126779268) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one.

Molecular Properties

Compound Name4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one
PubChem CID126779268
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one
SMILESCC(=O)CCc1ccc(OCC(=O)N2CCC3(CCOC3)C2)cc1
InChIInChI=1S/C19H25NO4/c1-15(21)2-3-16-4-6-17(7-5-16)24-12-18(22)20-10-8-19(13-20)9-11-23-14-19/h4-7H,2-3,8-14H2,1H3
InChIKeyADHXSKLOCYYLDF-UHFFFAOYSA-N
XLogP2.23
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
CID 71854849
2-(3-methyl-4-propan-2-ylphenoxy)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 99697772
2-[4-(hydroxymethyl)phenoxy]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 138035512
2-(1,3-benzodioxol-5-yloxy)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97120746
N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 97103334
1-(3,8-dioxa-11-azaspiro[5.6]dodecan-11-yl)-3-pyridin-4-ylpropan-1-one
CID 75503965
4-[4-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethoxy]phenyl]butan-2-one
CID 55399530
1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one
CID 131644918
4-[4-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethoxy]phenyl]butan-2-one
CID 55733706
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97129702
4-[4-(2-methylprop-2-enoxy)phenyl]butan-2-one
CID 24695398
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methylphenoxy)ethanone
CID 110755929

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one?
The IUPAC name of 4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one (CID 126779268) is 4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one.
What is the SMILES notation for 4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one?
The canonical SMILES for 4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one is CC(=O)CCc1ccc(OCC(=O)N2CCC3(CCOC3)C2)cc1.
What is the InChIKey of 4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one?
The InChIKey is ADHXSKLOCYYLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-15(21)2-3-16-4-6-17(7-5-16)24-12-18(22)20-10-8-19(13-20)9-11-23-14-19/h4-7H,2-3,8-14H2,1H3.
What are the key properties of 4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one?
4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one has a molecular weight of 331.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one is sourced from PubChem (CID 126779268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).