3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H33N3O4 — CID 70748037

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(C)C(=O)N1CCC2(CC1)CN(CCN(C)CCOC)C(=O)O2
InChIInChI=1S/C18H33N3O4/c1-5-15(2)16(22)20-8-6-18(7-9-20)14-21(17(23)25-18)11-10-19(3)12-13-24-4/h15H,5-14H2,1-4H3
InChIKeyNDWWDNZDFDTUKN-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.42
Rot. Bonds8

About 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70748037) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70748037
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(C)C(=O)N1CCC2(CC1)CN(CCN(C)CCOC)C(=O)O2
InChIInChI=1S/C18H33N3O4/c1-5-15(2)16(22)20-8-6-18(7-9-20)14-21(17(23)25-18)11-10-19(3)12-13-24-4/h15H,5-14H2,1-4H3
InChIKeyNDWWDNZDFDTUKN-UHFFFAOYSA-N
XLogP1.42
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70748037) is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC(C)C(=O)N1CCC2(CC1)CN(CCN(C)CCOC)C(=O)O2.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NDWWDNZDFDTUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-5-15(2)16(22)20-8-6-18(7-9-20)14-21(17(23)25-18)11-10-19(3)12-13-24-4/h15H,5-14H2,1-4H3.
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 355.48 g/mol, XLogP of 1.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(2-methylbutanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70748037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).