(2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H24N2O2 — CID 135374643

IUPAC(2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1OC2(CCN(Cc3ccccc3)CC2)CN(C)C1=O
InChIInChI=1S/C17H24N2O2/c1-14-16(20)18(2)13-17(21-14)8-10-19(11-9-17)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3/t14-/m0/s1
InChIKeyYKQYEVSIZWXQAP-AWEZNQCLSA-N
MW288.39 g/mol
LogP1.90
Rot. Bonds2

About (2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135374643) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135374643
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H]1OC2(CCN(Cc3ccccc3)CC2)CN(C)C1=O
InChIInChI=1S/C17H24N2O2/c1-14-16(20)18(2)13-17(21-14)8-10-19(11-9-17)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3/t14-/m0/s1
InChIKeyYKQYEVSIZWXQAP-AWEZNQCLSA-N
XLogP1.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135374643) is (2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is C[C@@H]1OC2(CCN(Cc3ccccc3)CC2)CN(C)C1=O.
What is the InChIKey of (2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YKQYEVSIZWXQAP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14-16(20)18(2)13-17(21-14)8-10-19(11-9-17)12-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 288.39 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-9-benzyl-2,4-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135374643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).