2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

C19H26FN3O3 — CID 91924912

IUPAC2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCN(C)C(=O)C1CN(C(=O)NCc2cccc(F)c2)CC12CCOCC2
InChIInChI=1S/C19H26FN3O3/c1-22(2)17(24)16-12-23(13-19(16)6-8-26-9-7-19)18(25)21-11-14-4-3-5-15(20)10-14/h3-5,10,16H,6-9,11-13H2,1-2H3,(H,21,25)
InChIKeyZYYKTBUHYIRDHC-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.85
Rot. Bonds3

About 2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 91924912) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID91924912
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC Name2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCN(C)C(=O)C1CN(C(=O)NCc2cccc(F)c2)CC12CCOCC2
InChIInChI=1S/C19H26FN3O3/c1-22(2)17(24)16-12-23(13-19(16)6-8-26-9-7-19)18(25)21-11-14-4-3-5-15(20)10-14/h3-5,10,16H,6-9,11-13H2,1-2H3,(H,21,25)
InChIKeyZYYKTBUHYIRDHC-UHFFFAOYSA-N
XLogP1.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (CID 91924912) is 2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is CN(C)C(=O)C1CN(C(=O)NCc2cccc(F)c2)CC12CCOCC2.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is ZYYKTBUHYIRDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-22(2)17(24)16-12-23(13-19(16)6-8-26-9-7-19)18(25)21-11-14-4-3-5-15(20)10-14/h3-5,10,16H,6-9,11-13H2,1-2H3,(H,21,25).
What are the key properties of 2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 363.43 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluorophenyl)methyl]-4-N,4-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 91924912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).