3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C21H29FN2O4 — CID 17412187

IUPAC3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(O)COCc1ccccc1F)C2=O
InChIInChI=1S/C21H29FN2O4/c1-14-8-20(2,3)13-21(9-14)18(26)24(19(27)23-21)10-16(25)12-28-11-15-6-4-5-7-17(15)22/h4-7,14,16,25H,8-13H2,1-3H3,(H,23,27)
InChIKeyMUNTWGZPNIUVTQ-UHFFFAOYSA-N
MW392.47 g/mol
LogP2.84
Rot. Bonds6

About 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 17412187) has the molecular formula C21H29FN2O4 and a molecular weight of 392.47 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID17412187
Molecular FormulaC21H29FN2O4
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(O)COCc1ccccc1F)C2=O
InChIInChI=1S/C21H29FN2O4/c1-14-8-20(2,3)13-21(9-14)18(26)24(19(27)23-21)10-16(25)12-28-11-15-6-4-5-7-17(15)22/h4-7,14,16,25H,8-13H2,1-3H3,(H,23,27)
InChIKeyMUNTWGZPNIUVTQ-UHFFFAOYSA-N
XLogP2.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18086917
8-ethyl-3-[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51924291
N-[(2-fluorophenyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24982653
N-[2-(2-fluorophenyl)ethyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51177061
2-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 18087078
(4-bromo-2-fluorophenyl)methyl 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 41153495
(2-chloro-6-fluorophenyl)methyl 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652037
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223018
(5S,9R)-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8002516
(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 25346087
N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7923789
2-(4-fluorophenoxy)-N'-[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]propanehydrazide
CID 55347953

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 17412187) is 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(O)COCc1ccccc1F)C2=O.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is MUNTWGZPNIUVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O4/c1-14-8-20(2,3)13-21(9-14)18(26)24(19(27)23-21)10-16(25)12-28-11-15-6-4-5-7-17(15)22/h4-7,14,16,25H,8-13H2,1-3H3,(H,23,27).
What are the key properties of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 392.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 17412187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).