3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C18H22N2O3 — CID 75517307

IUPAC3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1ccccc1OC1CCC1
InChIInChI=1S/C18H22N2O3/c21-16-18(10-3-4-11-18)19-17(22)20(16)12-13-6-1-2-9-15(13)23-14-7-5-8-14/h1-2,6,9,14H,3-5,7-8,10-12H2,(H,19,22)
InChIKeyHQWAXBNIIJLJHO-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.98
Rot. Bonds4

About 3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 75517307) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID75517307
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1ccccc1OC1CCC1
InChIInChI=1S/C18H22N2O3/c21-16-18(10-3-4-11-18)19-17(22)20(16)12-13-6-1-2-9-15(13)23-14-7-5-8-14/h1-2,6,9,14H,3-5,7-8,10-12H2,(H,19,22)
InChIKeyHQWAXBNIIJLJHO-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2578417
3-(1H-indol-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75447180
1-[(2-cyclobutyloxyphenyl)methyl]-3-(3-hydroxypropyl)urea
CID 111428441
N-[(2-cyclopentyloxyphenyl)methyl]aniline
CID 39366714
3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509213
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
3-(cyclobutylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 97218148
3-[(2,5-dimethoxyphenyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9401459
3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609851
3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
CID 56824692
3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17428005

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 75517307) is 3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1Cc1ccccc1OC1CCC1.
What is the InChIKey of 3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is HQWAXBNIIJLJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-16-18(10-3-4-11-18)19-17(22)20(16)12-13-6-1-2-9-15(13)23-14-7-5-8-14/h1-2,6,9,14H,3-5,7-8,10-12H2,(H,19,22).
What are the key properties of 3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 314.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 75517307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).