2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one

C24H28N2O3 — CID 70750695

IUPAC2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ccccc1OCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C24H28N2O3/c1-19-7-5-6-10-21(19)29-17-23(28)25-13-11-24(12-14-25)15-22(27)26(18-24)16-20-8-3-2-4-9-20/h2-10H,11-18H2,1H3
InChIKeySKDYAFHGPRXKSB-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.42
Rot. Bonds5

About 2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one

2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70750695) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70750695
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ccccc1OCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C24H28N2O3/c1-19-7-5-6-10-21(19)29-17-23(28)25-13-11-24(12-14-25)15-22(27)26(18-24)16-20-8-3-2-4-9-20/h2-10H,11-18H2,1H3
InChIKeySKDYAFHGPRXKSB-UHFFFAOYSA-N
XLogP3.42
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
2-benzyl-9-(2-propoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72847825
[2-methyl-1-[8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopropan-2-yl] acetate
CID 3759568
2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97268865
2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70787556
8-(2-ethoxyacetyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896665
2-benzyl-8-[3-(1-methylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72847524
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
CID 72877372
2-(2-methylphenoxy)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 19297256
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899933
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
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

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70750695) is 2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1ccccc1OCC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SKDYAFHGPRXKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-19-7-5-6-10-21(19)29-17-23(28)25-13-11-24(12-14-25)15-22(27)26(18-24)16-20-8-3-2-4-9-20/h2-10H,11-18H2,1H3.
What are the key properties of 2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 392.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70750695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).