(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C17H32N2O2 — CID 137370776

IUPAC(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1C[C@@]2(CCCN(CCC(C)C)CC2)O[C@H](C)C1=O
InChIInChI=1S/C17H32N2O2/c1-5-19-13-17(21-15(4)16(19)20)8-6-10-18(12-9-17)11-7-14(2)3/h14-15H,5-13H2,1-4H3/t15-,17+/m1/s1
InChIKeyQCEAFOWTOSWFHK-WBVHZDCISA-N
MW296.45 g/mol
LogP2.52
Rot. Bonds4

About (2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 137370776) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID137370776
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESCCN1C[C@@]2(CCCN(CCC(C)C)CC2)O[C@H](C)C1=O
InChIInChI=1S/C17H32N2O2/c1-5-19-13-17(21-15(4)16(19)20)8-6-10-18(12-9-17)11-7-14(2)3/h14-15H,5-13H2,1-4H3/t15-,17+/m1/s1
InChIKeyQCEAFOWTOSWFHK-WBVHZDCISA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of (2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 137370776) is (2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for (2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for (2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is CCN1C[C@@]2(CCCN(CCC(C)C)CC2)O[C@H](C)C1=O.
What is the InChIKey of (2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is QCEAFOWTOSWFHK-WBVHZDCISA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-19-13-17(21-15(4)16(19)20)8-6-10-18(12-9-17)11-7-14(2)3/h14-15H,5-13H2,1-4H3/t15-,17+/m1/s1.
What are the key properties of (2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
(2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 296.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-ethyl-2-methyl-10-(3-methylbutyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 137370776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).