3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C20H19F2N3O3 — CID 23350840

IUPAC3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1c(OC(F)F)ccc2ccccc12
InChIInChI=1S/C20H19F2N3O3/c21-18(22)28-16-9-8-13-6-2-3-7-14(13)15(16)12-23-25-17(26)20(24-19(25)27)10-4-1-5-11-20/h2-3,6-9,12,18H,1,4-5,10-11H2,(H,24,27)
InChIKeyRTULEYQDYSDTKK-UHFFFAOYSA-N
MW387.39 g/mol
LogP4.03
Rot. Bonds4

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

3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 23350840) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID23350840
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1c(OC(F)F)ccc2ccccc12
InChIInChI=1S/C20H19F2N3O3/c21-18(22)28-16-9-8-13-6-2-3-7-14(13)15(16)12-23-25-17(26)20(24-19(25)27)10-4-1-5-11-20/h2-3,6-9,12,18H,1,4-5,10-11H2,(H,24,27)
InChIKeyRTULEYQDYSDTKK-UHFFFAOYSA-N
XLogP4.03
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]imidazolidine-2,4-dione
CID 135401321
5-ethyl-3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 135606447
5-[4-(Difluoromethoxy)phenyl]-3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 4260829
3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 6911597
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione
CID 2425126
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(naphthalen-1-ylmethylideneamino)imidazolidine-2,4-dione
CID 2425128
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxynaphthalen-1-yl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2514881
3-[[2-(Difluoromethoxy)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643515
(5R)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2644307
(5S)-5-[4-(difluoromethoxy)phenyl]-3-[(2-methoxyphenyl)methylideneamino]-5-methylimidazolidine-2,4-dione
CID 2644308
(5S)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 2644309
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[(2-methylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 2644310

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 23350840) is 3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1N=Cc1c(OC(F)F)ccc2ccccc12.
What is the InChIKey of 3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is RTULEYQDYSDTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c21-18(22)28-16-9-8-13-6-2-3-7-14(13)15(16)12-23-25-17(26)20(24-19(25)27)10-4-1-5-11-20/h2-3,6-9,12,18H,1,4-5,10-11H2,(H,24,27).
What are the key properties of 3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 387.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 23350840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).