3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

C22H24N2O4 — CID 2997835

IUPAC3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCCOc1ccc(OCCN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C22H24N2O4/c1-2-27-17-9-11-18(12-10-17)28-15-14-24-20(25)22(23-21(24)26)13-5-7-16-6-3-4-8-19(16)22/h3-4,6,8-12H,2,5,7,13-15H2,1H3,(H,23,26)
InChIKeyDDTBBIRKKQJGCM-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.25
Rot. Bonds6

About 3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione

3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 2997835) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
PubChem CID2997835
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
SMILESCCOc1ccc(OCCN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1
InChIInChI=1S/C22H24N2O4/c1-2-27-17-9-11-18(12-10-17)28-15-14-24-20(25)22(23-21(24)26)13-5-7-16-6-3-4-8-19(16)22/h3-4,6,8-12H,2,5,7,13-15H2,1H3,(H,23,26)
InChIKeyDDTBBIRKKQJGCM-UHFFFAOYSA-N
XLogP3.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione (CID 2997835) is 3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is CCOc1ccc(OCCN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1.
What is the InChIKey of 3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is DDTBBIRKKQJGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-2-27-17-9-11-18(12-10-17)28-15-14-24-20(25)22(23-21(24)26)13-5-7-16-6-3-4-8-19(16)22/h3-4,6,8-12H,2,5,7,13-15H2,1H3,(H,23,26).
What are the key properties of 3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione?
3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 380.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[2-(4-ethoxyphenoxy)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 2997835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).