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

C18H26N2O2 — CID 135332752

IUPAC(2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccccc3)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C18H26N2O2/c1-3-20-14-18(22-15(2)17(20)21)9-11-19(12-10-18)13-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3/t15-/m0/s1
InChIKeyMJXNLXHIIYADJF-HNNXBMFYSA-N
MW302.42 g/mol
LogP2.29
Rot. Bonds3

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

(2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332752) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332752
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccccc3)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C18H26N2O2/c1-3-20-14-18(22-15(2)17(20)21)9-11-19(12-10-18)13-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3/t15-/m0/s1
InChIKeyMJXNLXHIIYADJF-HNNXBMFYSA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-9-[2-(2,5-Difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561036
2-Ethyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562510
4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
4-Methyl-9-(2-phenylethyl)-2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 70552386
2-Methyl-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 102004349
2,4-Dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560871
(2R)-4-ethyl-9-[2-(2-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560963
(2R)-4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560969
(2R)-4-cyclopropyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560973
(2R)-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560990
2,2,4-Trimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118560993
2-Methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561045

Frequently Asked Questions

What is the IUPAC name of (2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332752) is (2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(Cc3ccccc3)CC2)O[C@@H](C)C1=O.
What is the InChIKey of (2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MJXNLXHIIYADJF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-20-14-18(22-15(2)17(20)21)9-11-19(12-10-18)13-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 302.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-9-benzyl-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).