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

C19H26N2O6 — CID 72910177

IUPAC2-(2-methoxyethyl)-8-(5-methoxy-4-oxopyran-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(C(=O)c3cc(=O)c(OC)co3)C2)CCC1=O
InChIInChI=1S/C19H26N2O6/c1-25-9-8-20-12-19(6-4-17(20)23)5-3-7-21(13-19)18(24)15-10-14(22)16(26-2)11-27-15/h10-11H,3-9,12-13H2,1-2H3
InChIKeyOZSQWKXZUFMKGM-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.14
Rot. Bonds5

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

2-(2-methoxyethyl)-8-(5-methoxy-4-oxopyran-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72910177) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-(5-methoxy-4-oxopyran-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-(5-methoxy-4-oxopyran-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72910177
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name2-(2-methoxyethyl)-8-(5-methoxy-4-oxopyran-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(C(=O)c3cc(=O)c(OC)co3)C2)CCC1=O
InChIInChI=1S/C19H26N2O6/c1-25-9-8-20-12-19(6-4-17(20)23)5-3-7-21(13-19)18(24)15-10-14(22)16(26-2)11-27-15/h10-11H,3-9,12-13H2,1-2H3
InChIKeyOZSQWKXZUFMKGM-UHFFFAOYSA-N
XLogP1.14
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.14
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-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-(5-methoxy-4-oxopyran-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72910177) is 2-(2-methoxyethyl)-8-(5-methoxy-4-oxopyran-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-(5-methoxy-4-oxopyran-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-(5-methoxy-4-oxopyran-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(C(=O)c3cc(=O)c(OC)co3)C2)CCC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-(5-methoxy-4-oxopyran-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is OZSQWKXZUFMKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-25-9-8-20-12-19(6-4-17(20)23)5-3-7-21(13-19)18(24)15-10-14(22)16(26-2)11-27-15/h10-11H,3-9,12-13H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-8-(5-methoxy-4-oxopyran-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-8-(5-methoxy-4-oxopyran-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 378.43 g/mol, XLogP of 1.14, 5 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-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72910177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).