3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione

C20H26ClNO4 — CID 97012071

IUPAC3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1C[C@@H](O)COCc1ccc(Cl)cc1
InChIInChI=1S/C20H26ClNO4/c21-16-6-4-15(5-7-16)13-26-14-17(23)12-22-18(24)10-20(11-19(22)25)8-2-1-3-9-20/h4-7,17,23H,1-3,8-14H2/t17-/m1/s1
InChIKeyDHHJOPFYQNSQBZ-QGZVFWFLSA-N
MW379.88 g/mol
LogP3.32
Rot. Bonds6

About 3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione

3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 97012071) has the molecular formula C20H26ClNO4 and a molecular weight of 379.88 g/mol. Its IUPAC name is 3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID97012071
Molecular FormulaC20H26ClNO4
Molecular Weight379.88 g/mol
Exact Mass379.16
IUPAC Name3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1C[C@@H](O)COCc1ccc(Cl)cc1
InChIInChI=1S/C20H26ClNO4/c21-16-6-4-15(5-7-16)13-26-14-17(23)12-22-18(24)10-20(11-19(22)25)8-2-1-3-9-20/h4-7,17,23H,1-3,8-14H2/t17-/m1/s1
InChIKeyDHHJOPFYQNSQBZ-QGZVFWFLSA-N
XLogP3.32
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.88
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 56509405
(5S)-2-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-7-thia-2-azaspiro[4.4]nonane-1,3-dione
CID 95345247
2-[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 26009717
3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 51134068
3-[(2R)-2-hydroxy-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 95352235
3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 31572513
2-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18087078
2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 31580066
1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 2770344
2-[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 46613471
2-[3-(2,6-dichlorophenoxy)-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 75858651
1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111333431

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione (CID 97012071) is 3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione is O=C1CC2(CCCCC2)CC(=O)N1C[C@@H](O)COCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is DHHJOPFYQNSQBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26ClNO4/c21-16-6-4-15(5-7-16)13-26-14-17(23)12-22-18(24)10-20(11-19(22)25)8-2-1-3-9-20/h4-7,17,23H,1-3,8-14H2/t17-/m1/s1.
What are the key properties of 3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione?
3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 379.88 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 97012071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).