2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C19H28N2O5 — CID 70764885

IUPAC2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3cc(=O)c(OC)co3)C2)CCC1=O
InChIInChI=1S/C19H28N2O5/c1-24-9-8-21-14-19(6-4-18(21)23)5-3-7-20(13-19)11-15-10-16(22)17(25-2)12-26-15/h10,12H,3-9,11,13-14H2,1-2H3
InChIKeyGHJDIRKHKHNYQP-UHFFFAOYSA-N
MW364.44 g/mol
LogP1.50
Rot. Bonds6

About 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70764885) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70764885
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3cc(=O)c(OC)co3)C2)CCC1=O
InChIInChI=1S/C19H28N2O5/c1-24-9-8-21-14-19(6-4-18(21)23)5-3-7-20(13-19)11-15-10-16(22)17(25-2)12-26-15/h10,12H,3-9,11,13-14H2,1-2H3
InChIKeyGHJDIRKHKHNYQP-UHFFFAOYSA-N
XLogP1.50
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70764885) is 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(Cc3cc(=O)c(OC)co3)C2)CCC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is GHJDIRKHKHNYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-24-9-8-21-14-19(6-4-18(21)23)5-3-7-20(13-19)11-15-10-16(22)17(25-2)12-26-15/h10,12H,3-9,11,13-14H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.44 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-[(5-methoxy-4-oxopyran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70764885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).