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

C17H31N3O4 — CID 95861766

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN([C@@H]3CCOC3)CC2)OC1=O
InChIInChI=1S/C17H31N3O4/c1-18(10-12-22-2)8-9-20-14-17(24-16(20)21)4-6-19(7-5-17)15-3-11-23-13-15/h15H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyDASUFQRHAXDTCK-OAHLLOKOSA-N
MW341.45 g/mol
LogP0.64
Rot. Bonds7

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

3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95861766) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID95861766
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN([C@@H]3CCOC3)CC2)OC1=O
InChIInChI=1S/C17H31N3O4/c1-18(10-12-22-2)8-9-20-14-17(24-16(20)21)4-6-19(7-5-17)15-3-11-23-13-15/h15H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyDASUFQRHAXDTCK-OAHLLOKOSA-N
XLogP0.64
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95861766) is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCCN(C)CCN1CC2(CCN([C@@H]3CCOC3)CC2)OC1=O.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DASUFQRHAXDTCK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-18(10-12-22-2)8-9-20-14-17(24-16(20)21)4-6-19(7-5-17)15-3-11-23-13-15/h15H,3-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 341.45 g/mol, XLogP of 0.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3R)-oxolan-3-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95861766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).