3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione

C19H19N3O2 — CID 2643505

IUPAC3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1cccc2ccccc12
InChIInChI=1S/C19H19N3O2/c23-17-19(11-4-1-5-12-19)21-18(24)22(17)20-13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10,13H,1,4-5,11-12H2,(H,21,24)
InChIKeyMEJDQNISICRSTA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.43
Rot. Bonds2

About 3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione

3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2643505) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2643505
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1cccc2ccccc12
InChIInChI=1S/C19H19N3O2/c23-17-19(11-4-1-5-12-19)21-18(24)22(17)20-13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10,13H,1,4-5,11-12H2,(H,21,24)
InChIKeyMEJDQNISICRSTA-UHFFFAOYSA-N
XLogP3.43
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643541
(5S)-5-methyl-3-[(Z)-naphthalen-1-ylmethylideneamino]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 9349665
3-[(2,4-dichlorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643518
(1R,2R,6S,7S)-4-[(Z)-naphthalen-1-ylmethylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 5413546
3-[(3,4-dihydroxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3561014
3-[[4-(trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643524
4-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)iminomethyl]benzoate
CID 2643535
(1R,2S,6S,7R,8R,10S)-4-[(Z)-naphthalen-1-ylmethylideneamino]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 100806104
3-[[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3586779
3-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 3679250
7-naphthalen-1-yl-5,7-diazaspiro[3.4]octane-6,8-dione
CID 81156365
3-[(Z)-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9395752

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2643505) is 3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1N=Cc1cccc2ccccc12.
What is the InChIKey of 3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is MEJDQNISICRSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-17-19(11-4-1-5-12-19)21-18(24)22(17)20-13-15-9-6-8-14-7-2-3-10-16(14)15/h2-3,6-10,13H,1,4-5,11-12H2,(H,21,24).
What are the key properties of 3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 321.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-1-ylmethylideneamino)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2643505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).