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

C15H25NO3 — CID 7180103

IUPAC(4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCCCCCNC(=O)[C@H]1CC(=O)OC12CCCCC2
InChIInChI=1S/C15H25NO3/c1-2-3-7-10-16-14(18)12-11-13(17)19-15(12)8-5-4-6-9-15/h12H,2-11H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyXKUVUFROKHDKRX-GFCCVEGCSA-N
MW267.37 g/mol
LogP2.56
Rot. Bonds5

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

(4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 7180103) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID7180103
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCCCCCNC(=O)[C@H]1CC(=O)OC12CCCCC2
InChIInChI=1S/C15H25NO3/c1-2-3-7-10-16-14(18)12-11-13(17)19-15(12)8-5-4-6-9-15/h12H,2-11H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyXKUVUFROKHDKRX-GFCCVEGCSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-tert-butyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7102206
(4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125166297
N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131927808
N,N-diethyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 2836718
(4S)-N-(furan-2-ylmethyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 706698
(4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 125445382
N-[(2-fluorophenyl)methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 56730546
N-(3-imidazol-1-ylpropyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885934
(4R)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7367649
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131907170
6-oxo-5-oxaspiro[3.4]octane-8-carboxylic acid
CID 166444205
(4R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 125173720

Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide (CID 7180103) is (4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide is CCCCCNC(=O)[C@H]1CC(=O)OC12CCCCC2.
What is the InChIKey of (4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is XKUVUFROKHDKRX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-3-7-10-16-14(18)12-11-13(17)19-15(12)8-5-4-6-9-15/h12H,2-11H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide?
(4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-N-pentyl-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 7180103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).