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

C19H35N3O3 — CID 70752778

IUPAC8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C3CCCCC3)CC2)OC1=O
InChIInChI=1S/C19H35N3O3/c1-20(14-15-24-2)12-13-22-16-19(25-18(22)23)8-10-21(11-9-19)17-6-4-3-5-7-17/h17H,3-16H2,1-2H3
InChIKeyZNFHDXZWJCOTLO-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.18
Rot. Bonds7

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

8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70752778) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is 8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70752778
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C3CCCCC3)CC2)OC1=O
InChIInChI=1S/C19H35N3O3/c1-20(14-15-24-2)12-13-22-16-19(25-18(22)23)8-10-21(11-9-19)17-6-4-3-5-7-17/h17H,3-16H2,1-2H3
InChIKeyZNFHDXZWJCOTLO-UHFFFAOYSA-N
XLogP2.18
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70752778) is 8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCCN(C)CCN1CC2(CCN(C3CCCCC3)CC2)OC1=O.
What is the InChIKey of 8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZNFHDXZWJCOTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-20(14-15-24-2)12-13-22-16-19(25-18(22)23)8-10-21(11-9-19)17-6-4-3-5-7-17/h17H,3-16H2,1-2H3.
What are the key properties of 8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 353.51 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70752778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).