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

C16H19NO3 — CID 561109

IUPACN-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccccc2)C2(CCCC2)O1
InChIInChI=1S/C16H19NO3/c18-14-10-13(16(20-14)8-4-5-9-16)15(19)17-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,19)
InChIKeyIPKFJWAREWTNPK-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.18
Rot. Bonds3

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

N-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 561109) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID561109
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccccc2)C2(CCCC2)O1
InChIInChI=1S/C16H19NO3/c18-14-10-13(16(20-14)8-4-5-9-16)15(19)17-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,19)
InChIKeyIPKFJWAREWTNPK-UHFFFAOYSA-N
XLogP2.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of N-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (CID 561109) is N-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for N-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for N-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is O=C1CC(C(=O)NCc2ccccc2)C2(CCCC2)O1.
What is the InChIKey of N-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is IPKFJWAREWTNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-14-10-13(16(20-14)8-4-5-9-16)15(19)17-11-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,19).
What are the key properties of N-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
N-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 273.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 561109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).