2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide

C18H23NO3 — CID 2921916

IUPAC2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)NCCc2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C18H23NO3/c20-16-13-15(18(22-16)10-5-2-6-11-18)17(21)19-12-9-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,21)
InChIKeyRDXFUIAZNDNHLE-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.61
Rot. Bonds4

About 2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide

2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 2921916) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID2921916
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)NCCc2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C18H23NO3/c20-16-13-15(18(22-16)10-5-2-6-11-18)17(21)19-12-9-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,21)
InChIKeyRDXFUIAZNDNHLE-UHFFFAOYSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide (CID 2921916) is 2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide is O=C1CC(C(=O)NCCc2ccccc2)C2(CCCCC2)O1.
What is the InChIKey of 2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is RDXFUIAZNDNHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-16-13-15(18(22-16)10-5-2-6-11-18)17(21)19-12-9-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,21).
What are the key properties of 2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide?
2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-phenylethyl)-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 2921916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).