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

C19H27FN2O2 — CID 135374675

IUPAC4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccc(F)cc3)CC2)OC(C)(C)C1=O
InChIInChI=1S/C19H27FN2O2/c1-4-22-14-19(24-18(2,3)17(22)23)9-11-21(12-10-19)13-15-5-7-16(20)8-6-15/h5-8H,4,9-14H2,1-3H3
InChIKeyFSNDEISHJFQHTL-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.82
Rot. Bonds3

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

4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135374675) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135374675
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccc(F)cc3)CC2)OC(C)(C)C1=O
InChIInChI=1S/C19H27FN2O2/c1-4-22-14-19(24-18(2,3)17(22)23)9-11-21(12-10-19)13-15-5-7-16(20)8-6-15/h5-8H,4,9-14H2,1-3H3
InChIKeyFSNDEISHJFQHTL-UHFFFAOYSA-N
XLogP2.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135374675) is 4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(Cc3ccc(F)cc3)CC2)OC(C)(C)C1=O.
What is the InChIKey of 4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FSNDEISHJFQHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-4-22-14-19(24-18(2,3)17(22)23)9-11-21(12-10-19)13-15-5-7-16(20)8-6-15/h5-8H,4,9-14H2,1-3H3.
What are the key properties of 4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 334.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-9-[(4-fluorophenyl)methyl]-2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135374675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).