3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C19H26N2O4 — CID 7610137

IUPAC3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCCOc1ccc(OCCN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-2-13-24-15-6-8-16(9-7-15)25-14-12-21-17(22)19(20-18(21)23)10-4-3-5-11-19/h6-9H,2-5,10-14H2,1H3,(H,20,23)
InChIKeyGVWMLQNIWPFFPX-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.11
Rot. Bonds7

About 3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 7610137) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID7610137
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCCOc1ccc(OCCN2C(=O)NC3(CCCCC3)C2=O)cc1
InChIInChI=1S/C19H26N2O4/c1-2-13-24-15-6-8-16(9-7-15)25-14-12-21-17(22)19(20-18(21)23)10-4-3-5-11-19/h6-9H,2-5,10-14H2,1H3,(H,20,23)
InChIKeyGVWMLQNIWPFFPX-UHFFFAOYSA-N
XLogP3.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-bromophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622476
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethoxy]-N,N-dimethylbenzenesulfonamide
CID 47094628
(5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 7619041
3-[3-(4-aminophenoxy)propyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94755473
3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42988993
3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755507
3-[2-(4-bromophenoxy)ethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2421484
3-[2-(3-aminophenoxy)ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 43365740
3-[2-(4-methylphenoxy)ethyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 42979131
3-[3-(3,5-dimethylphenoxy)propyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 46824048
3-[2-(2,6-dichlorophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610121

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 7610137) is 3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CCCOc1ccc(OCCN2C(=O)NC3(CCCCC3)C2=O)cc1.
What is the InChIKey of 3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is GVWMLQNIWPFFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-2-13-24-15-6-8-16(9-7-15)25-14-12-21-17(22)19(20-18(21)23)10-4-3-5-11-19/h6-9H,2-5,10-14H2,1H3,(H,20,23).
What are the key properties of 3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 346.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-propoxyphenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 7610137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).