(6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C19H28N2O2 — CID 95896690

IUPAC(6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1C[C@]2(CCCN(CCOc3ccccc3)C2)CCC1=O
InChIInChI=1S/C19H28N2O2/c1-2-21-16-19(11-9-18(21)22)10-6-12-20(15-19)13-14-23-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3/t19-/m1/s1
InChIKeyPLGDURFIRHJOCV-LJQANCHMSA-N
MW316.44 g/mol
LogP2.79
Rot. Bonds5

About (6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95896690) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95896690
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1C[C@]2(CCCN(CCOc3ccccc3)C2)CCC1=O
InChIInChI=1S/C19H28N2O2/c1-2-21-16-19(11-9-18(21)22)10-6-12-20(15-19)13-14-23-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3/t19-/m1/s1
InChIKeyPLGDURFIRHJOCV-LJQANCHMSA-N
XLogP2.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70753916
(6S)-8-[2-(2-hydroxyethoxy)ethyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95880682
2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
CID 131653378
(5S)-2-(4-methoxyphenyl)sulfonyl-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane
CID 97483473
[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone
CID 97483411
2-(3-methoxyphenyl)-1-[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 97483457
2-cyclopentyl-9-(2-phenoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70761556
(6R)-8-[(4-ethoxyphenyl)methyl]-2-(3-hydroxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576588
(6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870785
2-[(2R)-2-hydroxypropyl]-9-(3-phenoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97149071
(6R)-2-benzyl-8-[2-(2-methylimidazol-1-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95896628
3-(2-benzyl-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl)propanamide
CID 70746799

Frequently Asked Questions

What is the IUPAC name of (6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95896690) is (6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is CCN1C[C@]2(CCCN(CCOc3ccccc3)C2)CCC1=O.
What is the InChIKey of (6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is PLGDURFIRHJOCV-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-21-16-19(11-9-18(21)22)10-6-12-20(15-19)13-14-23-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3/t19-/m1/s1.
What are the key properties of (6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 316.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-ethyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95896690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).