(2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide

C13H21NO4 — CID 95972380

IUPAC(2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)[C@H]1CC12CCOCC2
InChIInChI=1S/C13H21NO4/c15-12(14-18-11-3-1-2-6-17-11)10-9-13(10)4-7-16-8-5-13/h10-11H,1-9H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyDAEDZLSZHBRWPK-MNOVXSKESA-N
MW255.31 g/mol
LogP1.38
Rot. Bonds3

About (2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide

(2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 95972380) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is (2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID95972380
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name(2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)[C@H]1CC12CCOCC2
InChIInChI=1S/C13H21NO4/c15-12(14-18-11-3-1-2-6-17-11)10-9-13(10)4-7-16-8-5-13/h10-11H,1-9H2,(H,14,15)/t10-,11+/m1/s1
InChIKeyDAEDZLSZHBRWPK-MNOVXSKESA-N
XLogP1.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 130684582
trans-(1R,2R)-2-cyclohexyl-N-[(2R)-oxan-2-yl]oxycyclopropane-1-carboxamide
CID 99716407
(2R,3R)-3-methyl-N-[(2R)-oxan-2-yl]oxyoxolane-2-carboxamide
CID 97023842
(1R,5R)-N-(oxan-2-yloxy)-3-oxabicyclo[3.1.0]hexane-1-carboxamide
CID 154865294
4-(2-chlorophenyl)-N-[(2S)-oxan-2-yl]oxyoxane-4-carboxamide
CID 95322508
tert-butyl N-(oxan-2-yloxy)carbamate
CID 11790630
(1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide
CID 94820955
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-N-(oxan-2-yloxy)oxane-4-carboxamide
CID 11496929
N-(oxan-2-yloxy)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
CID 154859849
1-methyl-1,3-bis(oxan-2-yloxy)urea
CID 19371750
(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide
CID 95139145

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide (CID 95972380) is (2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide is O=C(NO[C@H]1CCCCO1)[C@H]1CC12CCOCC2.
What is the InChIKey of (2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is DAEDZLSZHBRWPK-MNOVXSKESA-N. The full InChI is InChI=1S/C13H21NO4/c15-12(14-18-11-3-1-2-6-17-11)10-9-13(10)4-7-16-8-5-13/h10-11H,1-9H2,(H,14,15)/t10-,11+/m1/s1.
What are the key properties of (2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide?
(2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 255.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-oxan-2-yl]oxy-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 95972380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).