8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C20H27N3O5 — CID 165420308

IUPAC8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(OCC(=O)N2CCC3(CC2)C(=O)NC(=O)N3CC(C)C)c1
InChIInChI=1S/C20H27N3O5/c1-14(2)12-23-19(26)21-18(25)20(23)7-9-22(10-8-20)17(24)13-28-16-6-4-5-15(11-16)27-3/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,21,25,26)
InChIKeyWSJZOLUHLBKNFQ-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.64
Rot. Bonds6

About 8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165420308) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID165420308
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(OCC(=O)N2CCC3(CC2)C(=O)NC(=O)N3CC(C)C)c1
InChIInChI=1S/C20H27N3O5/c1-14(2)12-23-19(26)21-18(25)20(23)7-9-22(10-8-20)17(24)13-28-16-6-4-5-15(11-16)27-3/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,21,25,26)
InChIKeyWSJZOLUHLBKNFQ-UHFFFAOYSA-N
XLogP1.64
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110493992
8-[2-(1H-benzimidazol-2-ylmethoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165421028
3-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]-3-oxopropanoate
CID 2050396
1-[2-(3-methoxyphenoxy)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163310700
1-(1,4-diazepan-1-yl)-2-(3-methoxyphenoxy)ethanone;hydrochloride
CID 119414905
8-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166618906
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
8-(5-chloropyridine-2-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427661
(3R)-5-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103895
2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124574816
2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride
CID 71782662
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687485

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165420308) is 8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cccc(OCC(=O)N2CCC3(CC2)C(=O)NC(=O)N3CC(C)C)c1.
What is the InChIKey of 8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WSJZOLUHLBKNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-14(2)12-23-19(26)21-18(25)20(23)7-9-22(10-8-20)17(24)13-28-16-6-4-5-15(11-16)27-3/h4-6,11,14H,7-10,12-13H2,1-3H3,(H,21,25,26).
What are the key properties of 8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 389.45 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165420308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).