2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C18H22N2O5 — CID 7821452

IUPAC2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCc1ccccc1OCCOC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H22N2O5/c1-13-6-2-3-7-14(13)24-10-11-25-15(21)12-20-16(22)18(19-17(20)23)8-4-5-9-18/h2-3,6-7H,4-5,8-12H2,1H3,(H,19,23)
InChIKeyUIDPRRLNYSDBGR-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.78
Rot. Bonds6

About 2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 7821452) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID7821452
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCc1ccccc1OCCOC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C18H22N2O5/c1-13-6-2-3-7-14(13)24-10-11-25-15(21)12-20-16(22)18(19-17(20)23)8-4-5-9-18/h2-3,6-7H,4-5,8-12H2,1H3,(H,19,23)
InChIKeyUIDPRRLNYSDBGR-UHFFFAOYSA-N
XLogP1.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluorophenoxy)propyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821334
2-(2-chlorophenoxy)ethyl 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709558
3-[2-(2-methylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47056760
(2-phenoxyphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821352
(2-bromophenyl) 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 9439184
2-(4-bromophenoxy)ethyl 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47093906
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767775
3-[2-(2-methoxyphenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7609851
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42984950
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methylphenyl)acetamide
CID 2701809
(3,5-dimethylphenyl)methyl 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42985969
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 2568474

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of 2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 7821452) is 2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for 2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for 2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is Cc1ccccc1OCCOC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is UIDPRRLNYSDBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-13-6-2-3-7-14(13)24-10-11-25-15(21)12-20-16(22)18(19-17(20)23)8-4-5-9-18/h2-3,6-7H,4-5,8-12H2,1H3,(H,19,23).
What are the key properties of 2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 346.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 7821452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).