3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C19H24N2O3 — CID 2450452

IUPAC3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCCc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C19H24N2O3/c1-2-14-7-9-15(10-8-14)16(22)13-21-17(23)19(20-18(21)24)11-5-3-4-6-12-19/h7-10H,2-6,11-13H2,1H3,(H,20,24)
InChIKeyHUTSNNCXQQDBQX-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.08
Rot. Bonds4

About 3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 2450452) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID2450452
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCCc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C19H24N2O3/c1-2-14-7-9-15(10-8-14)16(22)13-21-17(23)19(20-18(21)24)11-5-3-4-6-12-19/h7-10H,2-6,11-13H2,1H3,(H,20,24)
InChIKeyHUTSNNCXQQDBQX-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 2450452) is 3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is CCc1ccc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is HUTSNNCXQQDBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-2-14-7-9-15(10-8-14)16(22)13-21-17(23)19(20-18(21)24)11-5-3-4-6-12-19/h7-10H,2-6,11-13H2,1H3,(H,20,24).
What are the key properties of 3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 328.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 2450452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).