2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide

C15H17NO3 — CID 564425

IUPAC2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2)C2(CCCC2)O1
InChIInChI=1S/C15H17NO3/c17-13-10-12(15(19-13)8-4-5-9-15)14(18)16-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,18)
InChIKeyNOBILKXGNDGUGK-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.50
Rot. Bonds2

About 2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide

2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 564425) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID564425
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1CC(C(=O)Nc2ccccc2)C2(CCCC2)O1
InChIInChI=1S/C15H17NO3/c17-13-10-12(15(19-13)8-4-5-9-15)14(18)16-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,18)
InChIKeyNOBILKXGNDGUGK-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of 2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide (CID 564425) is 2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for 2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for 2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide is O=C1CC(C(=O)Nc2ccccc2)C2(CCCC2)O1.
What is the InChIKey of 2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is NOBILKXGNDGUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13-10-12(15(19-13)8-4-5-9-15)14(18)16-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,16,18).
What are the key properties of 2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide?
2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 259.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-phenyl-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 564425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).