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

C22H24N2O3 — CID 4885189

IUPAC3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc(C)c(OCCN2C(=O)NC3(CCc4ccccc4C3)C2=O)c1
InChIInChI=1S/C22H24N2O3/c1-15-7-8-16(2)19(13-15)27-12-11-24-20(25)22(23-21(24)26)10-9-17-5-3-4-6-18(17)14-22/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyICINVIVMVNCSQJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.16
Rot. Bonds4

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

3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 4885189) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
PubChem CID4885189
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESCc1ccc(C)c(OCCN2C(=O)NC3(CCc4ccccc4C3)C2=O)c1
InChIInChI=1S/C22H24N2O3/c1-15-7-8-16(2)19(13-15)27-12-11-24-20(25)22(23-21(24)26)10-9-17-5-3-4-6-18(17)14-22/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyICINVIVMVNCSQJ-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.16
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-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 4885189) is 3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is Cc1ccc(C)c(OCCN2C(=O)NC3(CCc4ccccc4C3)C2=O)c1.
What is the InChIKey of 3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is ICINVIVMVNCSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-7-8-16(2)19(13-15)27-12-11-24-20(25)22(23-21(24)26)10-9-17-5-3-4-6-18(17)14-22/h3-8,13H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of 3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 364.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[2-(2,5-dimethylphenoxy)ethyl]spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 4885189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).