(2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H30N2O2 — CID 135332788

IUPAC(2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(CCC(C)C)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C16H30N2O2/c1-5-18-12-16(20-14(4)15(18)19)7-10-17(11-8-16)9-6-13(2)3/h13-14H,5-12H2,1-4H3/t14-/m0/s1
InChIKeyHZLZOCCUGODKEE-AWEZNQCLSA-N
MW282.43 g/mol
LogP2.13
Rot. Bonds4

About (2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332788) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332788
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(CCC(C)C)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C16H30N2O2/c1-5-18-12-16(20-14(4)15(18)19)7-10-17(11-8-16)9-6-13(2)3/h13-14H,5-12H2,1-4H3/t14-/m0/s1
InChIKeyHZLZOCCUGODKEE-AWEZNQCLSA-N
XLogP2.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332788) is (2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(CCC(C)C)CC2)O[C@@H](C)C1=O.
What is the InChIKey of (2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is HZLZOCCUGODKEE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-18-12-16(20-14(4)15(18)19)7-10-17(11-8-16)9-6-13(2)3/h13-14H,5-12H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 282.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethyl-2-methyl-9-(3-methylbutyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).