3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C15H19N3O3 — CID 43365740

IUPAC3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESNc1cccc(OCCN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C15H19N3O3/c16-11-4-3-5-12(10-11)21-9-8-18-13(19)15(17-14(18)20)6-1-2-7-15/h3-5,10H,1-2,6-9,16H2,(H,17,20)
InChIKeyGPLPLKUFAXDMQZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.51
Rot. Bonds4

About 3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 43365740) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID43365740
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESNc1cccc(OCCN2C(=O)NC3(CCCC3)C2=O)c1
InChIInChI=1S/C15H19N3O3/c16-11-4-3-5-12(10-11)21-9-8-18-13(19)15(17-14(18)20)6-1-2-7-15/h3-5,10H,1-2,6-9,16H2,(H,17,20)
InChIKeyGPLPLKUFAXDMQZ-UHFFFAOYSA-N
XLogP1.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-aminophenoxy)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755460
3-[3-(3-methoxyphenoxy)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677822
3-[3-(4-aminophenoxy)propyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94755473
3-[2-(4-bromophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622476
3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610137
3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755507
3-[2-(2,6-dichlorophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610121
3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42988993
8-ethyl-3-[2-(3-methylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180837
(5S)-3-(2-phenoxyethyl)-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30668854
3-[3-(3,5-dimethylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 46824048
3-[2-(2-fluorophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3584642

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 43365740) is 3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is Nc1cccc(OCCN2C(=O)NC3(CCCC3)C2=O)c1.
What is the InChIKey of 3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is GPLPLKUFAXDMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-11-4-3-5-12(10-11)21-9-8-18-13(19)15(17-14(18)20)6-1-2-7-15/h3-5,10H,1-2,6-9,16H2,(H,17,20).
What are the key properties of 3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 43365740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).