3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione

C23H33ClN2O4 — CID 18288515

IUPAC3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(O)COCc1ccccc1Cl)C2=O
InChIInChI=1S/C23H33ClN2O4/c1-4-22(2,3)17-9-11-23(12-10-17)20(28)26(21(29)25-23)13-18(27)15-30-14-16-7-5-6-8-19(16)24/h5-8,17-18,27H,4,9-15H2,1-3H3,(H,25,29)
InChIKeyMEWBHVKQEYZJTR-UHFFFAOYSA-N
MW436.98 g/mol
LogP4.13
Rot. Bonds8

About 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione

3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 18288515) has the molecular formula C23H33ClN2O4 and a molecular weight of 436.98 g/mol. Its IUPAC name is 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID18288515
Molecular FormulaC23H33ClN2O4
Molecular Weight436.98 g/mol
Exact Mass436.21
IUPAC Name3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(O)COCc1ccccc1Cl)C2=O
InChIInChI=1S/C23H33ClN2O4/c1-4-22(2,3)17-9-11-23(12-10-17)20(28)26(21(29)25-23)13-18(27)15-30-14-16-7-5-6-8-19(16)24/h5-8,17-18,27H,4,9-15H2,1-3H3,(H,25,29)
InChIKeyMEWBHVKQEYZJTR-UHFFFAOYSA-N
XLogP4.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.98
LogP ≤ 54.13
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-chlorophenyl)methoxy]-2-hydroxypropyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51223018
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
(5S)-5-butyl-3-[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 39972624
(5S)-5-butyl-3-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 39972628
methyl 4-[2-hydroxy-3-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]propoxy]benzoate
CID 46664481
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-heptyl-5-methylimidazolidine-2,4-dione
CID 18227148
2-[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-2-azaspiro[4.5]decane-1,3-dione
CID 26009717
N-[(1S)-2-methoxy-1-phenylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 52522358
N-(4-chlorophenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2116042
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17412187
3-[(2S)-3-[(1S)-1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31569790

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 18288515) is 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(O)COCc1ccccc1Cl)C2=O.
What is the InChIKey of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is MEWBHVKQEYZJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN2O4/c1-4-22(2,3)17-9-11-23(12-10-17)20(28)26(21(29)25-23)13-18(27)15-30-14-16-7-5-6-8-19(16)24/h5-8,17-18,27H,4,9-15H2,1-3H3,(H,25,29).
What are the key properties of 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 436.98 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 18288515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).