3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H22N4O3 — CID 94755507

IUPAC3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)NC(=O)N(CCOc1ccc(N)cc1)C2=O
InChIInChI=1S/C16H22N4O3/c1-19-8-6-16(7-9-19)14(21)20(15(22)18-16)10-11-23-13-4-2-12(17)3-5-13/h2-5H,6-11,17H2,1H3,(H,18,22)
InChIKeyNCXPIIHGYXNZPR-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.66
Rot. Bonds4

About 3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 94755507) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID94755507
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)NC(=O)N(CCOc1ccc(N)cc1)C2=O
InChIInChI=1S/C16H22N4O3/c1-19-8-6-16(7-9-19)14(21)20(15(22)18-16)10-11-23-13-4-2-12(17)3-5-13/h2-5H,6-11,17H2,1H3,(H,18,22)
InChIKeyNCXPIIHGYXNZPR-UHFFFAOYSA-N
XLogP0.66
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-aminophenoxy)propyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94755473
3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137
3-[2-(4-aminophenoxy)ethyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82149162
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
3-[2-(4-bromophenoxy)ethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2421484
3-[2-(4-methylphenoxy)ethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42979131
3-(2-hydroxyethyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148756
4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 47094628
3-(2-aminobutyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148499
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
3-(2-phenoxyethyl)-8-[(2R)-2-phenoxypropanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27396914

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 94755507) is 3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1CCC2(CC1)NC(=O)N(CCOc1ccc(N)cc1)C2=O.
What is the InChIKey of 3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is NCXPIIHGYXNZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-19-8-6-16(7-9-19)14(21)20(15(22)18-16)10-11-23-13-4-2-12(17)3-5-13/h2-5H,6-11,17H2,1H3,(H,18,22).
What are the key properties of 3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 318.38 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 94755507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).