3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C18H24N2O5 — CID 31572513

IUPAC3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOc1ccc(COC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C18H24N2O5/c1-24-15-6-4-13(5-7-15)11-25-12-14(21)10-20-16(22)18(19-17(20)23)8-2-3-9-18/h4-7,14,21H,2-3,8-12H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyLADUSQKXNAKUGJ-CQSZACIVSA-N
MW348.40 g/mol
LogP1.44
Rot. Bonds7

About 3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 31572513) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID31572513
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCOc1ccc(COC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1
InChIInChI=1S/C18H24N2O5/c1-24-15-6-4-13(5-7-15)11-25-12-14(21)10-20-16(22)18(19-17(20)23)8-2-3-9-18/h4-7,14,21H,2-3,8-12H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyLADUSQKXNAKUGJ-CQSZACIVSA-N
XLogP1.44
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', '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
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
3-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 31569830
3-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223013
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223018
3-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 18086921
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711629
4-[3-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-2-hydroxypropoxy]benzonitrile
CID 18086925
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18086917
(5S)-5-cyclopropyl-3-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-5-methylimidazolidine-2,4-dione
CID 31569633
3-[(2S)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 26482215

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 31572513) is 3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is COc1ccc(COC[C@H](O)CN2C(=O)NC3(CCCC3)C2=O)cc1.
What is the InChIKey of 3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is LADUSQKXNAKUGJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-24-15-6-4-13(5-7-15)11-25-12-14(21)10-20-16(22)18(19-17(20)23)8-2-3-9-18/h4-7,14,21H,2-3,8-12H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 348.40 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 31572513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).