3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C17H19F2N3O3 — CID 6911597

IUPAC3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(/N=C/c1ccc(OC(F)F)cc1)C2=O
InChIInChI=1S/C17H19F2N3O3/c1-11-6-8-17(9-7-11)14(23)22(16(24)21-17)20-10-12-2-4-13(5-3-12)25-15(18)19/h2-5,10-11,15H,6-9H2,1H3,(H,21,24)/b20-10+
InChIKeyQNEOCAPMUZIIGY-KEBDBYFISA-N
MW351.35 g/mol
LogP3.12
Rot. Bonds4

About 3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 6911597) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is 3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID6911597
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC Name3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(/N=C/c1ccc(OC(F)F)cc1)C2=O
InChIInChI=1S/C17H19F2N3O3/c1-11-6-8-17(9-7-11)14(23)22(16(24)21-17)20-10-12-2-4-13(5-3-12)25-15(18)19/h2-5,10-11,15H,6-9H2,1H3,(H,21,24)/b20-10+
InChIKeyQNEOCAPMUZIIGY-KEBDBYFISA-N
XLogP3.12
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 6911597) is 3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(/N=C/c1ccc(OC(F)F)cc1)C2=O.
What is the InChIKey of 3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is QNEOCAPMUZIIGY-KEBDBYFISA-N. The full InChI is InChI=1S/C17H19F2N3O3/c1-11-6-8-17(9-7-11)14(23)22(16(24)21-17)20-10-12-2-4-13(5-3-12)25-15(18)19/h2-5,10-11,15H,6-9H2,1H3,(H,21,24)/b20-10+.
What are the key properties of 3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 351.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 6911597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).