[2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate

C23H32N2O5 — CID 3759568

IUPAC[2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)N1CCC2(CCN(C(=O)COc3ccccc3C)CC2)C1
InChIInChI=1S/C23H32N2O5/c1-17-7-5-6-8-19(17)29-15-20(27)24-12-9-23(10-13-24)11-14-25(16-23)21(28)22(3,4)30-18(2)26/h5-8H,9-16H2,1-4H3
InChIKeyQNCBSGXZLREGGE-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.56
Rot. Bonds5

About [2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate

[2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate (PubChem CID 3759568) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is [2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate
PubChem CID3759568
Molecular FormulaC23H32N2O5
Molecular Weight416.52 g/mol
Exact Mass416.23
IUPAC Name[2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate
SMILESCC(=O)OC(C)(C)C(=O)N1CCC2(CCN(C(=O)COc3ccccc3C)CC2)C1
InChIInChI=1S/C23H32N2O5/c1-17-7-5-6-8-19(17)29-15-20(27)24-12-9-23(10-13-24)11-14-25(16-23)21(28)22(3,4)30-18(2)26/h5-8H,9-16H2,1-4H3
InChIKeyQNCBSGXZLREGGE-UHFFFAOYSA-N
XLogP2.56
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate with MolForge

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Related Compounds

N-[(2S)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]acetamide
CID 74225151
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 3607871
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70750695
N-[5-chloro-2-[(E)-3-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-oxoprop-1-enyl]phenyl]acetamide
CID 6078595
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
1-[2-[2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carbonyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(2-methylphenoxy)ethanone
CID 3859343
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366126
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 2669189
4-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 2050274
2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 2050633
N,N-diethyl-4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 110366149
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39572448

Frequently Asked Questions

What is the IUPAC name of [2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate?
The IUPAC name of [2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate (CID 3759568) is [2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate?
The canonical SMILES for [2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate is CC(=O)OC(C)(C)C(=O)N1CCC2(CCN(C(=O)COc3ccccc3C)CC2)C1.
What is the InChIKey of [2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate?
The InChIKey is QNCBSGXZLREGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5/c1-17-7-5-6-8-19(17)29-15-20(27)24-12-9-23(10-13-24)11-14-25(16-23)21(28)22(3,4)30-18(2)26/h5-8H,9-16H2,1-4H3.
What are the key properties of [2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate?
[2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate has a molecular weight of 416.52 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 3759568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).