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

C17H32N2O2 — CID 135332744

IUPAC(2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CCC2(CC1)CN(C(C)C)C(=O)[C@H](C)O2
InChIInChI=1S/C17H32N2O2/c1-13(2)6-9-18-10-7-17(8-11-18)12-19(14(3)4)16(20)15(5)21-17/h13-15H,6-12H2,1-5H3/t15-/m0/s1
InChIKeyBPOOIMMAASUGLO-HNNXBMFYSA-N
MW296.46 g/mol
LogP2.52
Rot. Bonds4

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

(2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332744) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332744
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name(2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)CCN1CCC2(CC1)CN(C(C)C)C(=O)[C@H](C)O2
InChIInChI=1S/C17H32N2O2/c1-13(2)6-9-18-10-7-17(8-11-18)12-19(14(3)4)16(20)15(5)21-17/h13-15H,6-12H2,1-5H3/t15-/m0/s1
InChIKeyBPOOIMMAASUGLO-HNNXBMFYSA-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 ≤ 500296.46
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-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332744) is (2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)CCN1CCC2(CC1)CN(C(C)C)C(=O)[C@H](C)O2.
What is the InChIKey of (2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is BPOOIMMAASUGLO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(2)6-9-18-10-7-17(8-11-18)12-19(14(3)4)16(20)15(5)21-17/h13-15H,6-12H2,1-5H3/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 296.46 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 (2S)-2-methyl-9-(3-methylbutyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).