1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone

C23H34N2O3 — CID 91922173

IUPAC1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)Cc1cccc(OC)c1)CC2
InChIInChI=1S/C23H34N2O3/c1-27-16-19-15-25(20-6-4-7-20)17-23(19)9-11-24(12-10-23)22(26)14-18-5-3-8-21(13-18)28-2/h3,5,8,13,19-20H,4,6-7,9-12,14-17H2,1-2H3
InChIKeyUOJQVNBJHVGGAF-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.98
Rot. Bonds6

About 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone

1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 91922173) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
PubChem CID91922173
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)Cc1cccc(OC)c1)CC2
InChIInChI=1S/C23H34N2O3/c1-27-16-19-15-25(20-6-4-7-20)17-23(19)9-11-24(12-10-23)22(26)14-18-5-3-8-21(13-18)28-2/h3,5,8,13,19-20H,4,6-7,9-12,14-17H2,1-2H3
InChIKeyUOJQVNBJHVGGAF-UHFFFAOYSA-N
XLogP2.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone (CID 91922173) is 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone is COCC1CN(C2CCC2)CC12CCN(C(=O)Cc1cccc(OC)c1)CC2.
What is the InChIKey of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is UOJQVNBJHVGGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-27-16-19-15-25(20-6-4-7-20)17-23(19)9-11-24(12-10-23)22(26)14-18-5-3-8-21(13-18)28-2/h3,5,8,13,19-20H,4,6-7,9-12,14-17H2,1-2H3.
What are the key properties of 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone?
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 386.54 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 91922173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).