N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

C18H24FN3O3 — CID 45192270

IUPACN-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCOCCN1CCCC2(CCN(C(=O)Nc3cccc(F)c3)C2)C1=O
InChIInChI=1S/C18H24FN3O3/c1-25-11-10-21-8-3-6-18(16(21)23)7-9-22(13-18)17(24)20-15-5-2-4-14(19)12-15/h2,4-5,12H,3,6-11,13H2,1H3,(H,20,24)
InChIKeyVAAQYUQAUKAWKX-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.32
Rot. Bonds4

About N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 45192270) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID45192270
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC NameN-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCOCCN1CCCC2(CCN(C(=O)Nc3cccc(F)c3)C2)C1=O
InChIInChI=1S/C18H24FN3O3/c1-25-11-10-21-8-3-6-18(16(21)23)7-9-22(13-18)17(24)20-15-5-2-4-14(19)12-15/h2,4-5,12H,3,6-11,13H2,1H3,(H,20,24)
InChIKeyVAAQYUQAUKAWKX-UHFFFAOYSA-N
XLogP2.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 45192270) is N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is COCCN1CCCC2(CCN(C(=O)Nc3cccc(F)c3)C2)C1=O.
What is the InChIKey of N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is VAAQYUQAUKAWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-25-11-10-21-8-3-6-18(16(21)23)7-9-22(13-18)17(24)20-15-5-2-4-14(19)12-15/h2,4-5,12H,3,6-11,13H2,1H3,(H,20,24).
What are the key properties of N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide?
N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 45192270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).