3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H25FN2O5 — CID 66901810

IUPAC3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCOCC(=O)N1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C19H25FN2O5/c1-25-10-11-26-13-17(23)21-8-6-19(7-9-21)14-22(18(24)27-19)12-15-4-2-3-5-16(15)20/h2-5H,6-14H2,1H3
InChIKeyDSJLWHYFCJMQKD-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.80
Rot. Bonds7

About 3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 66901810) has the molecular formula C19H25FN2O5 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID66901810
Molecular FormulaC19H25FN2O5
Molecular Weight380.42 g/mol
Exact Mass380.17
IUPAC Name3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCOCC(=O)N1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2
InChIInChI=1S/C19H25FN2O5/c1-25-10-11-26-13-17(23)21-8-6-19(7-9-21)14-22(18(24)27-19)12-15-4-2-3-5-16(15)20/h2-5H,6-14H2,1H3
InChIKeyDSJLWHYFCJMQKD-UHFFFAOYSA-N
XLogP1.80
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 66901810) is 3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCCOCC(=O)N1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DSJLWHYFCJMQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O5/c1-25-10-11-26-13-17(23)21-8-6-19(7-9-21)14-22(18(24)27-19)12-15-4-2-3-5-16(15)20/h2-5H,6-14H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 380.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 66901810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).