2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide

C18H25N3O4 — CID 70707899

IUPAC2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide
SMILESCC(C(N)=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2
InChIInChI=1S/C18H25N3O4/c1-14(16(19)22)20-9-7-18(8-10-20)13-21(17(23)25-18)11-12-24-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H2,19,22)
InChIKeyRITYLQSYHKPIJJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.23
Rot. Bonds6

About 2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide

2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide (PubChem CID 70707899) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide.

Molecular Properties

Compound Name2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide
PubChem CID70707899
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide
SMILESCC(C(N)=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2
InChIInChI=1S/C18H25N3O4/c1-14(16(19)22)20-9-7-18(8-10-20)13-21(17(23)25-18)11-12-24-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H2,19,22)
InChIKeyRITYLQSYHKPIJJ-UHFFFAOYSA-N
XLogP1.23
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide?
The IUPAC name of 2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide (CID 70707899) is 2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide.
What is the SMILES notation for 2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide?
The canonical SMILES for 2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide is CC(C(N)=O)N1CCC2(CC1)CN(CCOc1ccccc1)C(=O)O2.
What is the InChIKey of 2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide?
The InChIKey is RITYLQSYHKPIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-14(16(19)22)20-9-7-18(8-10-20)13-21(17(23)25-18)11-12-24-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H2,19,22).
What are the key properties of 2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide?
2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide has a molecular weight of 347.42 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propanamide is sourced from PubChem (CID 70707899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).