3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H27N3O5 — CID 27396914

IUPAC3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O
InChIInChI=1S/C24H27N3O5/c1-18(32-20-10-6-3-7-11-20)21(28)26-14-12-24(13-15-26)22(29)27(23(30)25-24)16-17-31-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,25,30)/t18-/m1/s1
InChIKeyLSBYIXJQDDEFKQ-GOSISDBHSA-N
MW437.50 g/mol
LogP2.45
Rot. Bonds7

About 3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 27396914) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID27396914
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O
InChIInChI=1S/C24H27N3O5/c1-18(32-20-10-6-3-7-11-20)21(28)26-14-12-24(13-15-26)22(29)27(23(30)25-24)16-17-31-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,25,30)/t18-/m1/s1
InChIKeyLSBYIXJQDDEFKQ-GOSISDBHSA-N
XLogP2.45
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30668854
1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433322
3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755507
3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42988993
8-[(2R)-2-aminopropanoyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70749055
3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137
1-[4-[2-(4-chlorophenoxy)propanoyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108535916
2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97268865
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
2-(4-hydroxyphenoxy)-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 108534685
3-[2-(4-bromophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622476
3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43365740

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 27396914) is 3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)NC(=O)N(CCOc1ccccc1)C2=O.
What is the InChIKey of 3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LSBYIXJQDDEFKQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-18(32-20-10-6-3-7-11-20)21(28)26-14-12-24(13-15-26)22(29)27(23(30)25-24)16-17-31-19-8-4-2-5-9-19/h2-11,18H,12-17H2,1H3,(H,25,30)/t18-/m1/s1.
What are the key properties of 3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 437.50 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27396914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).