N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

C17H21NO3 — CID 3077984

IUPACN-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C17H21NO3/c19-15-11-14(17(21-15)9-5-2-6-10-17)16(20)18-12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,20)
InChIKeyGEOUDRDQCAMJFE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.57
Rot. Bonds3

About N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide

N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 3077984) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID3077984
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccccc2)C2(CCCCC2)O1
InChIInChI=1S/C17H21NO3/c19-15-11-14(17(21-15)9-5-2-6-10-17)16(20)18-12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,20)
InChIKeyGEOUDRDQCAMJFE-UHFFFAOYSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-[(3-phenylmethoxyphenyl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131951276
N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 56730546
(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 706698
(4R,5S)-N-benzyl-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 907016
(4S)-2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125171625
(4R)-N-(1,3-benzothiazol-2-ylmethyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125165859
(4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide
CID 7180103
N-(1,3-benzothiazol-7-ylmethyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 164695892
N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131927808
(3aR,7aS)-N-benzyl-2-oxo-3,3a,4,5,6,7-hexahydro-1-benzofuran-7a-carboxamide
CID 132509501
(4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 125173720
7,7-dimethyl-2-oxo-N-(2-phenylethyl)-1,8-dioxaspiro[4.5]decane-4-carboxamide
CID 3239408

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 3077984) is N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is O=C1CC(C(=O)NCc2ccccc2)C2(CCCCC2)O1.
What is the InChIKey of N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is GEOUDRDQCAMJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-15-11-14(17(21-15)9-5-2-6-10-17)16(20)18-12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,18,20).
What are the key properties of N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.57, 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[4.5]decane-4-carboxamide is sourced from PubChem (CID 3077984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).