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

C18H25FN2O2 — CID 135374664

IUPAC(2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccc(F)cc3)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C18H25FN2O2/c1-3-21-13-18(23-14(2)17(21)22)8-10-20(11-9-18)12-15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3/t14-/m0/s1
InChIKeyYYDANIMNBLAXFY-AWEZNQCLSA-N
MW320.41 g/mol
LogP2.43
Rot. Bonds3

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

(2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135374664) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135374664
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccc(F)cc3)CC2)O[C@@H](C)C1=O
InChIInChI=1S/C18H25FN2O2/c1-3-21-13-18(23-14(2)17(21)22)8-10-20(11-9-18)12-15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3/t14-/m0/s1
InChIKeyYYDANIMNBLAXFY-AWEZNQCLSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135374664) is (2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(Cc3ccc(F)cc3)CC2)O[C@@H](C)C1=O.
What is the InChIKey of (2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YYDANIMNBLAXFY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-3-21-13-18(23-14(2)17(21)22)8-10-20(11-9-18)12-15-4-6-16(19)7-5-15/h4-7,14H,3,8-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 320.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethyl-9-[(4-fluorophenyl)methyl]-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135374664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).