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

C19H28N2O2 — CID 135332705

IUPAC9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccccc3)CC2)OC(C)(C)C1=O
InChIInChI=1S/C19H28N2O2/c1-4-21-15-19(23-18(2,3)17(21)22)10-12-20(13-11-19)14-16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3
InChIKeyOGAJXWPGVDHMCS-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.68
Rot. Bonds3

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

9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332705) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332705
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccccc3)CC2)OC(C)(C)C1=O
InChIInChI=1S/C19H28N2O2/c1-4-21-15-19(23-18(2,3)17(21)22)10-12-20(13-11-19)14-16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3
InChIKeyOGAJXWPGVDHMCS-UHFFFAOYSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-8-benzyl-13-ethyl-4-oxa-8,13-diazadispiro[2.1.65.33]tetradecan-14-one
CID 129053848
4-ethyl-9-[2-(3-fluorophenyl)ethyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561108
8-benzyl-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;1-benzyl-4-hydroxypiperidine-4-carbonitrile
CID 91558624
3-[2-(12-ethyl-13-oxo-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-8-yl)ethyl]benzonitrile
CID 118560949
12-ethyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecan-13-one
CID 129053879
4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986291
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 154663471
3-benzyl-6,6-dimethyl-1,3-oxazinane
CID 129106291
12-ethyl-8-(2-phenylethylamino)-4-oxa-12-azadispiro[2.1.55.33]tridecan-13-one
CID 129053654
8-benzyl-4-methylidene-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19814236
8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride
CID 121005441

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332705) is 9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(Cc3ccccc3)CC2)OC(C)(C)C1=O.
What is the InChIKey of 9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OGAJXWPGVDHMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-21-15-19(23-18(2,3)17(21)22)10-12-20(13-11-19)14-16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3.
What are the key properties of 9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 316.44 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-4-ethyl-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).