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

C21H33N3O3 — CID 70731676

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(Cc3cccc(C)c3)CC2)OC1=O
InChIInChI=1S/C21H33N3O3/c1-18-5-4-6-19(15-18)16-23-9-7-21(8-10-23)17-24(20(25)27-21)12-11-22(2)13-14-26-3/h4-6,15H,7-14,16-17H2,1-3H3
InChIKeyPZUXCTZDANSUEF-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.36
Rot. Bonds8

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

3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70731676) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70731676
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(Cc3cccc(C)c3)CC2)OC1=O
InChIInChI=1S/C21H33N3O3/c1-18-5-4-6-19(15-18)16-23-9-7-21(8-10-23)17-24(20(25)27-21)12-11-22(2)13-14-26-3/h4-6,15H,7-14,16-17H2,1-3H3
InChIKeyPZUXCTZDANSUEF-UHFFFAOYSA-N
XLogP2.36
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.36
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-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70731676) is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCCN(C)CCN1CC2(CCN(Cc3cccc(C)c3)CC2)OC1=O.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PZUXCTZDANSUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-18-5-4-6-19(15-18)16-23-9-7-21(8-10-23)17-24(20(25)27-21)12-11-22(2)13-14-26-3/h4-6,15H,7-14,16-17H2,1-3H3.
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 375.51 g/mol, XLogP of 2.36, 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-[(3-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70731676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).