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

C17H32N2O2 — CID 135374930

IUPAC(2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCN1CC2(CCN(CCC(C)C)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C17H32N2O2/c1-5-9-19-13-17(21-15(4)16(19)20)7-11-18(12-8-17)10-6-14(2)3/h14-15H,5-13H2,1-4H3/t15-/m0/s1
InChIKeyUOTMVMKGXFVOGF-HNNXBMFYSA-N
MW296.45 g/mol
LogP2.52
Rot. Bonds5

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

(2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135374930) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is (2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135374930
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name(2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCCN1CC2(CCN(CCC(C)C)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C17H32N2O2/c1-5-9-19-13-17(21-15(4)16(19)20)7-11-18(12-8-17)10-6-14(2)3/h14-15H,5-13H2,1-4H3/t15-/m0/s1
InChIKeyUOTMVMKGXFVOGF-HNNXBMFYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 (2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135374930) is (2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCCN1CC2(CCN(CCC(C)C)CC2)O[C@@H](C)C1=O.
What is the InChIKey of (2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is UOTMVMKGXFVOGF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-5-9-19-13-17(21-15(4)16(19)20)7-11-18(12-8-17)10-6-14(2)3/h14-15H,5-13H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 296.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-9-(3-methylbutyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135374930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).