3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione

C21H29NO5 — CID 56509405

IUPAC3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESCOc1ccc(COCC(O)CN2C(=O)CC3(CCCCC3)CC2=O)cc1
InChIInChI=1S/C21H29NO5/c1-26-18-7-5-16(6-8-18)14-27-15-17(23)13-22-19(24)11-21(12-20(22)25)9-3-2-4-10-21/h5-8,17,23H,2-4,9-15H2,1H3
InChIKeyRGHMGHQVAKXJPR-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.67
Rot. Bonds7

About 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione

3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 56509405) has the molecular formula C21H29NO5 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID56509405
Molecular FormulaC21H29NO5
Molecular Weight375.47 g/mol
Exact Mass375.20
IUPAC Name3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESCOc1ccc(COCC(O)CN2C(=O)CC3(CCCCC3)CC2=O)cc1
InChIInChI=1S/C21H29NO5/c1-26-18-7-5-16(6-8-18)14-27-15-17(23)13-22-19(24)11-21(12-20(22)25)9-3-2-4-10-21/h5-8,17,23H,2-4,9-15H2,1H3
InChIKeyRGHMGHQVAKXJPR-UHFFFAOYSA-N
XLogP2.67
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 97012071
3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31572513
3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 95352235
3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 51134068
2-[3-(4-ethylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18087083
2-[3-(4-acetylphenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 18087088
(5S)-2-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 95345247
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
2-[(2R)-2-hydroxy-3-phenoxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 92794551
2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 31580066
2-[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 26009717

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione (CID 56509405) is 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione is COc1ccc(COCC(O)CN2C(=O)CC3(CCCCC3)CC2=O)cc1.
What is the InChIKey of 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is RGHMGHQVAKXJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO5/c1-26-18-7-5-16(6-8-18)14-27-15-17(23)13-22-19(24)11-21(12-20(22)25)9-3-2-4-10-21/h5-8,17,23H,2-4,9-15H2,1H3.
What are the key properties of 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione?
3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 375.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 56509405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).